2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide

C16H21N3O4S — CID 167936324

IUPAC2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide
SMILESCC(=O)NC(CC(C)C)C(=O)NS(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O4S/c1-10(2)8-14(18-11(3)20)16(21)19-24(22,23)15-9-17-13-7-5-4-6-12(13)15/h4-7,9-10,14,17H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYSSVHJZYQALTGZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.52
Rot. Bonds6

About 2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide

2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide (PubChem CID 167936324) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide
PubChem CID167936324
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide
SMILESCC(=O)NC(CC(C)C)C(=O)NS(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O4S/c1-10(2)8-14(18-11(3)20)16(21)19-24(22,23)15-9-17-13-7-5-4-6-12(13)15/h4-7,9-10,14,17H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYSSVHJZYQALTGZ-UHFFFAOYSA-N
XLogP1.52
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(1H-indol-3-yl)propanamide
CID 112839216
[1-[(2-acetamido-4-methylpentanoyl)amino]-2-(1H-indol-3-yl)ethyl]phosphonic acid
CID 20719115
2-(1H-indol-3-ylsulfonylamino)propanoic acid
CID 82487562
tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate
CID 86620846
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-[[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 40552419
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
N-(2-aminoethyl)-1H-indole-3-sulfonamide
CID 82292478
N-chloro-1H-indole-3-sulfonamide
CID 90719858
N-(2-methylpropylsulfamoyl)-1H-indole-3-carboxamide
CID 25247182
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide?
The IUPAC name of 2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide (CID 167936324) is 2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide.
What is the SMILES notation for 2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide?
The canonical SMILES for 2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide is CC(=O)NC(CC(C)C)C(=O)NS(=O)(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide?
The InChIKey is YSSVHJZYQALTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-10(2)8-14(18-11(3)20)16(21)19-24(22,23)15-9-17-13-7-5-4-6-12(13)15/h4-7,9-10,14,17H,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide?
2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide has a molecular weight of 351.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide is sourced from PubChem (CID 167936324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).