2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

C19H23ClN2O4S — CID 30219828

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-4-18(14-5-11-17(26-2)12-6-14)21-19(23)13-22(27(3,24)25)16-9-7-15(20)8-10-16/h5-12,18H,4,13H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyDHEFBANSLSFHJP-GOSISDBHSA-N
MW410.92 g/mol
LogP3.38
Rot. Bonds8

About 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 30219828) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
PubChem CID30219828
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-4-18(14-5-11-17(26-2)12-6-14)21-19(23)13-22(27(3,24)25)16-9-7-15(20)8-10-16/h5-12,18H,4,13H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyDHEFBANSLSFHJP-GOSISDBHSA-N
XLogP3.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28631718
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28572366
2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28632681
N-[1-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43898665
2-(4-chloro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43895471
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 92681523
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30244083
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43896154
2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885818
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30242862

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (CID 30219828) is 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is DHEFBANSLSFHJP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-4-18(14-5-11-17(26-2)12-6-14)21-19(23)13-22(27(3,24)25)16-9-7-15(20)8-10-16/h5-12,18H,4,13H2,1-3H3,(H,21,23)/t18-/m1/s1.
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 410.92 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30219828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).