N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide

C14H21ClN2O3S — CID 7438945

IUPACN-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide
SMILESCC[C@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-5-10(2)16-14(18)9-17(21(4,19)20)13-8-6-7-12(15)11(13)3/h6-8,10H,5,9H2,1-4H3,(H,16,18)/t10-/m0/s1
InChIKeyVTIJLSPDQMOVOK-JTQLQIEISA-N
MW332.85 g/mol
LogP2.33
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide

N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 7438945) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID7438945
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide
SMILESCC[C@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-5-10(2)16-14(18)9-17(21(4,19)20)13-8-6-7-12(15)11(13)3/h6-8,10H,5,9H2,1-4H3,(H,16,18)/t10-/m0/s1
InChIKeyVTIJLSPDQMOVOK-JTQLQIEISA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 124748964
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2R)-butan-2-yl]acetamide
CID 7448271
2-(2-bromo-N-methylsulfonylanilino)-N-butan-2-ylacetamide
CID 47409304
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(2,6-dichlorophenyl)methyl]amino]propanamide
CID 125098404
(2S)-2-[benzyl-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 125067824
N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2889765
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125095769
N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 3138299
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
N-butan-2-yl-2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132727733
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 125102623

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide (CID 7438945) is N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide is CC[C@H](C)NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is VTIJLSPDQMOVOK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-5-10(2)16-14(18)9-17(21(4,19)20)13-8-6-7-12(15)11(13)3/h6-8,10H,5,9H2,1-4H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 332.85 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 7438945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).