4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide

C16H26N2O3S — CID 100570202

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide
SMILESCC(C)[C@@H](C)NC(=O)CCCN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-13(2)14(3)17-16(19)11-8-12-18(4)22(20,21)15-9-6-5-7-10-15/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyPVJJAJWJZWTGCN-CQSZACIVSA-N
MW326.46 g/mol
LogP2.25
Rot. Bonds8

About 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide

4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide (PubChem CID 100570202) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide
PubChem CID100570202
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide
SMILESCC(C)[C@@H](C)NC(=O)CCCN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-13(2)14(3)17-16(19)11-8-12-18(4)22(20,21)15-9-6-5-7-10-15/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyPVJJAJWJZWTGCN-CQSZACIVSA-N
XLogP2.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
CID 132654297
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1-phenylbutyl)butanamide
CID 18206824
4-[benzenesulfonyl(methyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 2216242
4-[benzenesulfonyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 2216075
(2S)-12-[benzenesulfonyl(methyl)amino]-2-methyldodecanoic acid
CID 15319363
2-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119213131
(E)-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]hex-4-enoic acid
CID 120692865
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 46447025
4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
CID 18121131
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 123917247

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide (CID 100570202) is 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide is CC(C)[C@@H](C)NC(=O)CCCN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide?
The InChIKey is PVJJAJWJZWTGCN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(2)14(3)17-16(19)11-8-12-18(4)22(20,21)15-9-6-5-7-10-15/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide?
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide has a molecular weight of 326.46 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]butanamide is sourced from PubChem (CID 100570202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).