N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide

C17H19ClN2O3S — CID 113141459

IUPACN-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-24(22,23)20(16-5-3-2-4-6-16)12-11-17(21)19-13-14-7-9-15(18)10-8-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyXYCTZIRRODZYTF-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.81
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide

N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide (PubChem CID 113141459) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
PubChem CID113141459
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-24(22,23)20(16-5-3-2-4-6-16)12-11-17(21)19-13-14-7-9-15(18)10-8-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyXYCTZIRRODZYTF-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
CID 9173648
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
N-[(4-chlorophenyl)methyl]-3-(2-cyano-N-methylsulfonylanilino)propanamide
CID 113146730
N-[(4-chlorophenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285185
4-(4-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 53285359
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
N-[(4-chlorophenyl)methyl]-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138109
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
4-(4-chloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide
CID 53285283
3-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113145404
N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141532
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide (CID 113141459) is N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide is CS(=O)(=O)N(CCC(=O)NCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide?
The InChIKey is XYCTZIRRODZYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-24(22,23)20(16-5-3-2-4-6-16)12-11-17(21)19-13-14-7-9-15(18)10-8-14/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide?
N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide has a molecular weight of 366.87 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113141459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).