2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide

C20H26N2O3S — CID 2271697

IUPAC2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-5-16(3)21-20(23)14-22(19-13-9-10-15(2)17(19)4)26(24,25)18-11-7-6-8-12-18/h6-13,16H,5,14H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyKPKOYUHNJANCRD-INIZCTEOSA-N
MW374.51 g/mol
LogP3.41
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide (PubChem CID 2271697) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide
PubChem CID2271697
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-5-16(3)21-20(23)14-22(19-13-9-10-15(2)17(19)4)26(24,25)18-11-7-6-8-12-18/h6-13,16H,5,14H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyKPKOYUHNJANCRD-INIZCTEOSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2R)-butan-2-yl]acetamide
CID 7448271
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564325
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672852
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100605824
N-[(2R)-butan-2-yl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 7441929
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897651
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 92677634
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43886580
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
(2R)-2-[[2-[N-(benzenesulfonyl)-2,3-dimethylanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100544983
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126138604

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide (CID 2271697) is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is KPKOYUHNJANCRD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-16(3)21-20(23)14-22(19-13-9-10-15(2)17(19)4)26(24,25)18-11-7-6-8-12-18/h6-13,16H,5,14H2,1-4H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide?
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 2271697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).