N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide

C18H19ClN2O4S — CID 113143944

IUPACN-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H19ClN2O4S/c1-13(22)14-4-3-5-16(12-14)20-18(23)10-11-21(26(2,24)25)17-8-6-15(19)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyCUNIKIOFBBDRJJ-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.34
Rot. Bonds7

About N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide

N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide (PubChem CID 113143944) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
PubChem CID113143944
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H19ClN2O4S/c1-13(22)14-4-3-5-16(12-14)20-18(23)10-11-21(26(2,24)25)17-8-6-15(19)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyCUNIKIOFBBDRJJ-UHFFFAOYSA-N
XLogP3.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
3-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113143922
N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 113143498
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113145353
4-(4-chloro-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)butanamide
CID 9172941
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931
3-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113145358
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide (CID 113143944) is N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide is CC(=O)c1cccc(NC(=O)CCN(c2ccc(Cl)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide?
The InChIKey is CUNIKIOFBBDRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-13(22)14-4-3-5-16(12-14)20-18(23)10-11-21(26(2,24)25)17-8-6-15(19)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide?
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide has a molecular weight of 394.88 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).