N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide

C34H41N3O5S — CID 10348645

IUPACN-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide
SMILESCCCc1cn(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc2OC)c2cc(C(=O)NCC(CC)CC)ccc12
InChIInChI=1S/C34H41N3O5S/c1-6-11-27-21-37(30-18-25(16-17-29(27)30)33(38)35-20-24(7-2)8-3)22-28-15-14-26(19-31(28)42-5)34(39)36-43(40,41)32-13-10-9-12-23(32)4/h9-10,12-19,21,24H,6-8,11,20,22H2,1-5H3,(H,35,38)(H,36,39)
InChIKeyMPVOTVOKVOSFAL-UHFFFAOYSA-N
MW603.79 g/mol
LogP6.24
Rot. Bonds13

About N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide

N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide (PubChem CID 10348645) has the molecular formula C34H41N3O5S and a molecular weight of 603.79 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide
PubChem CID10348645
Molecular FormulaC34H41N3O5S
Molecular Weight603.79 g/mol
Exact Mass603.28
IUPAC NameN-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide
SMILESCCCc1cn(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc2OC)c2cc(C(=O)NCC(CC)CC)ccc12
InChIInChI=1S/C34H41N3O5S/c1-6-11-27-21-37(30-18-25(16-17-29(27)30)33(38)35-20-24(7-2)8-3)22-28-15-14-26(19-31(28)42-5)34(39)36-43(40,41)32-13-10-9-12-23(32)4/h9-10,12-19,21,24H,6-8,11,20,22H2,1-5H3,(H,35,38)(H,36,39)
InChIKeyMPVOTVOKVOSFAL-UHFFFAOYSA-N
XLogP6.24
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide (CID 10348645) is N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide is CCCc1cn(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc2OC)c2cc(C(=O)NCC(CC)CC)ccc12.
What is the InChIKey of N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide?
The InChIKey is MPVOTVOKVOSFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O5S/c1-6-11-27-21-37(30-18-25(16-17-29(27)30)33(38)35-20-24(7-2)8-3)22-28-15-14-26(19-31(28)42-5)34(39)36-43(40,41)32-13-10-9-12-23(32)4/h9-10,12-19,21,24H,6-8,11,20,22H2,1-5H3,(H,35,38)(H,36,39).
What are the key properties of N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide?
N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide has a molecular weight of 603.79 g/mol, XLogP of 6.24, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-propylindole-6-carboxamide is sourced from PubChem (CID 10348645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).