3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide

C21H19N3O3S — CID 142635284

IUPAC3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide
SMILESNC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N3O3S/c22-21(25)20(12-16-13-23-19-8-4-3-7-18(16)19)24-28(26,27)17-10-9-14-5-1-2-6-15(14)11-17/h1-11,13,20,23-24H,12H2,(H2,22,25)
InChIKeyAYVCTSKUCBGECQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.70
Rot. Bonds6

About 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide

3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 142635284) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID142635284
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide
SMILESNC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N3O3S/c22-21(25)20(12-16-13-23-19-8-4-3-7-18(16)19)24-28(26,27)17-10-9-14-5-1-2-6-15(14)11-17/h1-11,13,20,23-24H,12H2,(H2,22,25)
InChIKeyAYVCTSKUCBGECQ-UHFFFAOYSA-N
XLogP2.70
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 5144045
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
N-[(4-carbamimidoylmorpholin-2-yl)methyl]-3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 19081080
(2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoate
CID 2564289
(2R)-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride
CID 45261837
2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 18979112
5-[[(1R)-1-carboxylato-2-(1H-indol-3-yl)ethyl]sulfamoyl]-2-chlorobenzoate
CID 2473981
methyl (2R)-3-(1H-indol-3-yl)-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]propanoate
CID 10767330
(2R)-N-[(4-carbamimidoylmorpholin-2-yl)methyl]-3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide;sulfurous acid
CID 70046872
(2S)-3-(1H-indol-3-yl)-2-(prop-2-enylsulfonylamino)propanamide;hydrochloride
CID 70091262
(2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide
CID 10173762
(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide
CID 7022352

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide (CID 142635284) is 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide is NC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is AYVCTSKUCBGECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c22-21(25)20(12-16-13-23-19-8-4-3-7-18(16)19)24-28(26,27)17-10-9-14-5-1-2-6-15(14)11-17/h1-11,13,20,23-24H,12H2,(H2,22,25).
What are the key properties of 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide?
3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 393.47 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 142635284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).