3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide

C18H20ClNO4S — CID 110411335

IUPAC3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO4S/c1-24-17-8-3-2-5-14(17)9-11-20-18(21)10-12-25(22,23)16-7-4-6-15(19)13-16/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyHHBWUYWYFRKZBP-UHFFFAOYSA-N
MW381.88 g/mol
LogP2.87
Rot. Bonds8

About 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide

3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 110411335) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID110411335
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO4S/c1-24-17-8-3-2-5-14(17)9-11-20-18(21)10-12-25(22,23)16-7-4-6-15(19)13-16/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyHHBWUYWYFRKZBP-UHFFFAOYSA-N
XLogP2.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110411382
N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110609806
3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415612
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343167
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110620250
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
CID 8599438
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 110411335) is 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)CCS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is HHBWUYWYFRKZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-24-17-8-3-2-5-14(17)9-11-20-18(21)10-12-25(22,23)16-7-4-6-15(19)13-16/h2-8,13H,9-12H2,1H3,(H,20,21).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide?
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 381.88 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 110411335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).