4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide

C30H29N3O5S — CID 43915643

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)cc2)c(OC)c1
InChIInChI=1S/C30H29N3O5S/c1-37-25-13-16-27(29(19-25)38-2)32-39(35,36)26-14-11-24(12-15-26)31-30(34)23-9-7-21(8-10-23)20-33-18-17-22-5-3-4-6-28(22)33/h3-16,19,32H,17-18,20H2,1-2H3,(H,31,34)
InChIKeyYJOGFOUNCNUSMG-UHFFFAOYSA-N
MW543.65 g/mol
LogP5.32
Rot. Bonds9

About 4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide

4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 43915643) has the molecular formula C30H29N3O5S and a molecular weight of 543.65 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID43915643
Molecular FormulaC30H29N3O5S
Molecular Weight543.65 g/mol
Exact Mass543.18
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)cc2)c(OC)c1
InChIInChI=1S/C30H29N3O5S/c1-37-25-13-16-27(29(19-25)38-2)32-39(35,36)26-14-11-24(12-15-26)31-30(34)23-9-7-21(8-10-23)20-33-18-17-22-5-3-4-6-28(22)33/h3-16,19,32H,17-18,20H2,1-2H3,(H,31,34)
InChIKeyYJOGFOUNCNUSMG-UHFFFAOYSA-N
XLogP5.32
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.65
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide with MolForge

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43876256
4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43908593
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92683297
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 38009605
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99940107
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide
CID 92682378
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 168521474

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide (CID 43915643) is 4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)cc2)c(OC)c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is YJOGFOUNCNUSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5S/c1-37-25-13-16-27(29(19-25)38-2)32-39(35,36)26-14-11-24(12-15-26)31-30(34)23-9-7-21(8-10-23)20-33-18-17-22-5-3-4-6-28(22)33/h3-16,19,32H,17-18,20H2,1-2H3,(H,31,34).
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 543.65 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 43915643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).