(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide

C22H21ClN2O4S — CID 1241970

IUPAC(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C22H21ClN2O4S/c1-16(25(30(2,27)28)19-12-8-17(23)9-13-19)22(26)24-18-10-14-21(15-11-18)29-20-6-4-3-5-7-20/h3-16H,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyJEISOKJKCZDNGF-MRXNPFEDSA-N
MW444.94 g/mol
LogP4.93
Rot. Bonds7

About (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide

(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide (PubChem CID 1241970) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
PubChem CID1241970
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C22H21ClN2O4S/c1-16(25(30(2,27)28)19-12-8-17(23)9-13-19)22(26)24-18-10-14-21(15-11-18)29-20-6-4-3-5-7-20/h3-16H,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyJEISOKJKCZDNGF-MRXNPFEDSA-N
XLogP4.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 2964511
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2R)-N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126329949
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100502277
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1311949
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-iodophenyl)propanamide
CID 1289518
N-(3-acetylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 2930226
2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 2968377
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 1265335
(2R)-N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1303516
(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 40976069

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide (CID 1241970) is (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide is C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is JEISOKJKCZDNGF-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-16(25(30(2,27)28)19-12-8-17(23)9-13-19)22(26)24-18-10-14-21(15-11-18)29-20-6-4-3-5-7-20/h3-16H,1-2H3,(H,24,26)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide?
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 444.94 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 1241970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).