N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide

C18H20ClNO3S — CID 40712158

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-14-5-7-17(8-6-14)24(22,23)12-10-18(21)20-11-9-15-3-2-4-16(19)13-15/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyARPZUEQRVPBECK-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.17
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 40712158) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID40712158
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-14-5-7-17(8-6-14)24(22,23)12-10-18(21)20-11-9-15-3-2-4-16(19)13-15/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyARPZUEQRVPBECK-UHFFFAOYSA-N
XLogP3.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-(4-methylphenyl)sulfonyl-N-(2-pyridin-3-ylethyl)propanamide
CID 86930314
N-[4-(4-methylphenyl)butyl]-3-(4-methylphenyl)sulfonylpropanamide
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N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
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N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 122176670
N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342653
N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110609806
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9440257
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
CID 109033211
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 26569763
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 40712158) is N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is ARPZUEQRVPBECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-14-5-7-17(8-6-14)24(22,23)12-10-18(21)20-11-9-15-3-2-4-16(19)13-15/h2-8,13H,9-12H2,1H3,(H,20,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 365.88 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 40712158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).