N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide

C91H83Cl3N6O12S6 — CID 161237091

IUPACN-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide
SMILESCc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4cccs4)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4ccsc4)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4ccsc4C)cccc23)cc(C)c1Cl
InChIInChI=1S/C31H29ClN2O4S2.2C30H27ClN2O4S2/c1-19-17-22(18-20(2)28(19)32)38-15-8-13-27-26-12-7-11-25(24-14-16-39-21(24)3)29(26)33-30(27)31(35)34-40(36,37)23-9-5-4-6-10-23;1-19-17-21(18-20(2)27(19)31)37-15-7-13-24-23-11-6-12-25(26-14-8-16-38-26)28(23)32-29(24)30(34)33-39(35,36)22-9-4-3-5-10-22;1-19-16-22(17-20(2)27(19)31)37-14-7-12-26-25-11-6-10-24(21-13-15-38-18-21)28(25)32-29(26)30(34)33-39(35,36)23-8-4-3-5-9-23/h4-7,9-12,14,16-18,33H,8,13,15H2,1-3H3,(H,34,35);3-6,8-12,14,16-18,32H,7,13,15H2,1-2H3,(H,33,34);3-6,8-11,13,15-18,32H,7,12,14H2,1-2H3,(H,33,34)
InChIKeyUZNCYPSIJRBRLG-UHFFFAOYSA-N
MW1751.46 g/mol
LogP22.20
Rot. Bonds27

About N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide

N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide (PubChem CID 161237091) has the molecular formula C91H83Cl3N6O12S6 and a molecular weight of 1751.46 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide
PubChem CID161237091
Molecular FormulaC91H83Cl3N6O12S6
Molecular Weight1751.46 g/mol
Exact Mass1748.35
IUPAC NameN-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide
SMILESCc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4cccs4)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4ccsc4)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4ccsc4C)cccc23)cc(C)c1Cl
InChIInChI=1S/C31H29ClN2O4S2.2C30H27ClN2O4S2/c1-19-17-22(18-20(2)28(19)32)38-15-8-13-27-26-12-7-11-25(24-14-16-39-21(24)3)29(26)33-30(27)31(35)34-40(36,37)23-9-5-4-6-10-23;1-19-17-21(18-20(2)27(19)31)37-15-7-13-24-23-11-6-12-25(26-14-8-16-38-26)28(23)32-29(24)30(34)33-39(35,36)22-9-4-3-5-10-22;1-19-16-22(17-20(2)27(19)31)37-14-7-12-26-25-11-6-10-24(21-13-15-38-18-21)28(25)32-29(26)30(34)33-39(35,36)23-8-4-3-5-9-23/h4-7,9-12,14,16-18,33H,8,13,15H2,1-3H3,(H,34,35);3-6,8-12,14,16-18,32H,7,13,15H2,1-2H3,(H,33,34);3-6,8-11,13,15-18,32H,7,12,14H2,1-2H3,(H,33,34)
InChIKeyUZNCYPSIJRBRLG-UHFFFAOYSA-N
XLogP22.20
TPSA264.78 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001751.46
LogP ≤ 522.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide (CID 161237091) is N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide is Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4cccs4)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4ccsc4)cccc23)cc(C)c1Cl.Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4ccsc4C)cccc23)cc(C)c1Cl.
What is the InChIKey of N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide?
The InChIKey is UZNCYPSIJRBRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN2O4S2.2C30H27ClN2O4S2/c1-19-17-22(18-20(2)28(19)32)38-15-8-13-27-26-12-7-11-25(24-14-16-39-21(24)3)29(26)33-30(27)31(35)34-40(36,37)23-9-5-4-6-10-23;1-19-17-21(18-20(2)27(19)31)37-15-7-13-24-23-11-6-12-25(26-14-8-16-38-26)28(23)32-29(24)30(34)33-39(35,36)22-9-4-3-5-10-22;1-19-16-22(17-20(2)27(19)31)37-14-7-12-26-25-11-6-10-24(21-13-15-38-18-21)28(25)32-29(26)30(34)33-39(35,36)23-8-4-3-5-9-23/h4-7,9-12,14,16-18,33H,8,13,15H2,1-3H3,(H,34,35);3-6,8-12,14,16-18,32H,7,13,15H2,1-2H3,(H,33,34);3-6,8-11,13,15-18,32H,7,12,14H2,1-2H3,(H,33,34).
What are the key properties of N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide?
N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide has a molecular weight of 1751.46 g/mol, XLogP of 22.20, 27 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(2-methylthiophen-3-yl)-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-2-yl-1H-indole-2-carboxamide;N-(benzenesulfonyl)-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-thiophen-3-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 161237091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).