N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide

C21H27ClN2O4S — CID 132671766

IUPACN-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C21H27ClN2O4S/c1-4-20(21(25)23-15-5-6-16-7-9-17(22)10-8-16)24(29(3,26)27)18-11-13-19(28-2)14-12-18/h7-14,20H,4-6,15H2,1-3H3,(H,23,25)
InChIKeyJVUMVPSOCLSECK-UHFFFAOYSA-N
MW438.98 g/mol
LogP3.64
Rot. Bonds10

About N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide

N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 132671766) has the molecular formula C21H27ClN2O4S and a molecular weight of 438.98 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID132671766
Molecular FormulaC21H27ClN2O4S
Molecular Weight438.98 g/mol
Exact Mass438.14
IUPAC NameN-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C21H27ClN2O4S/c1-4-20(21(25)23-15-5-6-16-7-9-17(22)10-8-16)24(29(3,26)27)18-11-13-19(28-2)14-12-18/h7-14,20H,4-6,15H2,1-3H3,(H,23,25)
InChIKeyJVUMVPSOCLSECK-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.98
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 132672686
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 4214527
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 133229508
N-[3-(4-fluorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132666868
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 95118747
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 94027037
N-[(2,5-diethylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133200028
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 132671749
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]butanamide
CID 132667096
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide
CID 132671730
N-[3-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133187198

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide (CID 132671766) is N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide is CCC(C(=O)NCCCc1ccc(Cl)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is JVUMVPSOCLSECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4S/c1-4-20(21(25)23-15-5-6-16-7-9-17(22)10-8-16)24(29(3,26)27)18-11-13-19(28-2)14-12-18/h7-14,20H,4-6,15H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 438.98 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132671766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).