2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

C21H18ClN3O4S2 — CID 11190716

IUPAC2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCc1c(S(=O)(=O)Nc2ccc3[nH]cc(C(=O)C(=O)N(C)C)c3c2)sc2ccc(Cl)cc12
InChIInChI=1S/C21H18ClN3O4S2/c1-11-14-8-12(22)4-7-18(14)30-21(11)31(28,29)24-13-5-6-17-15(9-13)16(10-23-17)19(26)20(27)25(2)3/h4-10,23-24H,1-3H3
InChIKeyOPBCKFXRSPVNPI-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.42
Rot. Bonds5

About 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 11190716) has the molecular formula C21H18ClN3O4S2 and a molecular weight of 475.98 g/mol. Its IUPAC name is 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID11190716
Molecular FormulaC21H18ClN3O4S2
Molecular Weight475.98 g/mol
Exact Mass475.04
IUPAC Name2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCc1c(S(=O)(=O)Nc2ccc3[nH]cc(C(=O)C(=O)N(C)C)c3c2)sc2ccc(Cl)cc12
InChIInChI=1S/C21H18ClN3O4S2/c1-11-14-8-12(22)4-7-18(14)30-21(11)31(28,29)24-13-5-6-17-15(9-13)16(10-23-17)19(26)20(27)25(2)3/h4-10,23-24H,1-3H3
InChIKeyOPBCKFXRSPVNPI-UHFFFAOYSA-N
XLogP4.42
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 11190716) is 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(C(=O)C(=O)N(C)C)c3c2)sc2ccc(Cl)cc12.
What is the InChIKey of 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is OPBCKFXRSPVNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4S2/c1-11-14-8-12(22)4-7-18(14)30-21(11)31(28,29)24-13-5-6-17-15(9-13)16(10-23-17)19(26)20(27)25(2)3/h4-10,23-24H,1-3H3.
What are the key properties of 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 475.98 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 11190716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).