3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide

C18H22N2O4S — CID 31115017

IUPAC3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-24-17-10-6-5-7-15(17)11-13-19-18(21)12-14-20-25(22,23)16-8-3-2-4-9-16/h2-10,20H,11-14H2,1H3,(H,19,21)
InChIKeyHWYAOTOZGCPEJF-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.72
Rot. Bonds9

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

3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 31115017) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID31115017
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-24-17-10-6-5-7-15(17)11-13-19-18(21)12-14-20-25(22,23)16-8-3-2-4-9-16/h2-10,20H,11-14H2,1H3,(H,19,21)
InChIKeyHWYAOTOZGCPEJF-UHFFFAOYSA-N
XLogP1.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 8842159
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110411335
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27644763

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 31115017) is 3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is HWYAOTOZGCPEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-24-17-10-6-5-7-15(17)11-13-19-18(21)12-14-20-25(22,23)16-8-3-2-4-9-16/h2-10,20H,11-14H2,1H3,(H,19,21).
What are the key properties of 3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 362.45 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 31115017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).