N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide

C13H19ClN2O3S — CID 3138299

IUPACN-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-4-10(2)15-13(17)9-16(20(3,18)19)12-7-5-11(14)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyZLXAWDYIQWQOAQ-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.02
Rot. Bonds6

About N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide

N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide (PubChem CID 3138299) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
PubChem CID3138299
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-4-10(2)15-13(17)9-16(20(3,18)19)12-7-5-11(14)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,15,17)
InChIKeyZLXAWDYIQWQOAQ-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143863
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100563222
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2889765
N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2271012
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 2271520
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-chloro-N-methylsulfonylanilino)acetyl]-[(4-chlorophenyl)methyl]amino]propanamide
CID 125094260
N-[(2R)-butan-2-yl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 124748964
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30219828

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide (CID 3138299) is N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide is CCC(C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide?
The InChIKey is ZLXAWDYIQWQOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-4-10(2)15-13(17)9-16(20(3,18)19)12-7-5-11(14)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide?
N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide has a molecular weight of 318.83 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3138299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).