N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide

C20H25ClN2O3S — CID 132663421

IUPACN-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O3S/c1-3-19(23(27(2,25)26)17-12-5-4-6-13-17)20(24)22-15-9-11-16-10-7-8-14-18(16)21/h4-8,10,12-14,19H,3,9,11,15H2,1-2H3,(H,22,24)
InChIKeyPIGYBRAQUDRWCY-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.63
Rot. Bonds9

About N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide

N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide (PubChem CID 132663421) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide
PubChem CID132663421
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O3S/c1-3-19(23(27(2,25)26)17-12-5-4-6-13-17)20(24)22-15-9-11-16-10-7-8-14-18(16)21/h4-8,10,12-14,19H,3,9,11,15H2,1-2H3,(H,22,24)
InChIKeyPIGYBRAQUDRWCY-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chlorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132671760
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
CID 132668690
N-[(2-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide
CID 53282949
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide
CID 132672790
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]butanamide
CID 132667096
N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 132664350
N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132671766
(2S)-N-[(2-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132618
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]butanamide
CID 132668695
N-butyl-2-[(2-chlorophenyl)methyl-[4-(N-methylsulfonylanilino)butanoyl]amino]butanamide
CID 132731705
(2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 93267392
2-(4-chloro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)butanamide
CID 133218974

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide (CID 132663421) is N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide is CCC(C(=O)NCCCc1ccccc1Cl)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide?
The InChIKey is PIGYBRAQUDRWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-3-19(23(27(2,25)26)17-12-5-4-6-13-17)20(24)22-15-9-11-16-10-7-8-14-18(16)21/h4-8,10,12-14,19H,3,9,11,15H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide?
N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide has a molecular weight of 408.95 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2-(N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132663421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).