N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide

C23H23ClN2O4S — CID 2978939

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-9-12-19(13-10-16)26(31(3,28)29)17(2)23(27)25-21-15-18(24)11-14-22(21)30-20-7-5-4-6-8-20/h4-15,17H,1-3H3,(H,25,27)
InChIKeyVQQQIIXVNLNCTK-UHFFFAOYSA-N
MW458.97 g/mol
LogP5.23
Rot. Bonds7

About N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide

N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 2978939) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID2978939
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-9-12-19(13-10-16)26(31(3,28)29)17(2)23(27)25-21-15-18(24)11-14-22(21)30-20-7-5-4-6-8-20/h4-15,17H,1-3H3,(H,25,27)
InChIKeyVQQQIIXVNLNCTK-UHFFFAOYSA-N
XLogP5.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2955324
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2973866
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1265240
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126323635
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1311949
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 133160260
2-(4-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 2964511
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 1241970
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248741
(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126384834
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 2943639

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 2978939) is N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(C(C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is VQQQIIXVNLNCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-16-9-12-19(13-10-16)26(31(3,28)29)17(2)23(27)25-21-15-18(24)11-14-22(21)30-20-7-5-4-6-8-20/h4-15,17H,1-3H3,(H,25,27).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide?
N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 458.97 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2978939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).