2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide

C19H23ClN2O3S — CID 46741650

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
SMILESCCC(C(=O)N[C@H](C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-4-18(19(23)21-14(2)15-8-6-5-7-9-15)22(26(3,24)25)17-12-10-16(20)11-13-17/h5-14,18H,4H2,1-3H3,(H,21,23)/t14-,18?/m1/s1
InChIKeyUYZVHJQLIFLLHP-IKJXHCRLSA-N
MW394.92 g/mol
LogP3.76
Rot. Bonds7

About 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide

2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide (PubChem CID 46741650) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
PubChem CID46741650
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
SMILESCCC(C(=O)N[C@H](C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-4-18(19(23)21-14(2)15-8-6-5-7-9-15)22(26(3,24)25)17-12-10-16(20)11-13-17/h5-14,18H,4H2,1-3H3,(H,21,23)/t14-,18?/m1/s1
InChIKeyUYZVHJQLIFLLHP-IKJXHCRLSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 132668683
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 132668663
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]butanamide
CID 28567324
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132658818
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93486268
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 125076235
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]butanamide
CID 125077340
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]butanamide
CID 99131266
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide
CID 92673390
(2S)-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 125086242
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 125078900
(2S)-N-[(1R)-3-methyl-1-phenylbutyl]-2-(N-methylsulfonylanilino)butanamide
CID 93165371

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide (CID 46741650) is 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide is CCC(C(=O)N[C@H](C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide?
The InChIKey is UYZVHJQLIFLLHP-IKJXHCRLSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-4-18(19(23)21-14(2)15-8-6-5-7-9-15)22(26(3,24)25)17-12-10-16(20)11-13-17/h5-14,18H,4H2,1-3H3,(H,21,23)/t14-,18?/m1/s1.
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide?
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide has a molecular weight of 394.92 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide is sourced from PubChem (CID 46741650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).