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

C22H21ClN2O4S — CID 2955324

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H21ClN2O4S/c1-16(25(30(2,27)28)18-9-5-3-6-10-18)22(26)24-20-15-17(23)13-14-21(20)29-19-11-7-4-8-12-19/h3-16H,1-2H3,(H,24,26)
InChIKeyWDYRQFPFHBBJBW-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.93
Rot. Bonds7

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

N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide (PubChem CID 2955324) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
PubChem CID2955324
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H21ClN2O4S/c1-16(25(30(2,27)28)18-9-5-3-6-10-18)22(26)24-20-15-17(23)13-14-21(20)29-19-11-7-4-8-12-19/h3-16H,1-2H3,(H,24,26)
InChIKeyWDYRQFPFHBBJBW-UHFFFAOYSA-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

N-(5-chloro-2-phenoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2978939
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2973866
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126323635
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1265240
(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
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 1241970
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
N-(2,4-difluorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 2927652
N-(4-bromo-2-fluorophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 21372237
N-(5-chloro-2-phenoxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 21372830

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide (CID 2955324) is N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide is CC(C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is WDYRQFPFHBBJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-16(25(30(2,27)28)18-9-5-3-6-10-18)22(26)24-20-15-17(23)13-14-21(20)29-19-11-7-4-8-12-19/h3-16H,1-2H3,(H,24,26).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide?
N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)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 N-(5-chloro-2-phenoxyphenyl)-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2955324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).