3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide

C18H20N2O3S — CID 95191262

IUPAC3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(20-17-13-16(17)14-7-3-1-4-8-14)11-12-19-24(22,23)15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2,(H,20,21)/t16-,17+/m0/s1
InChIKeyKSBUTVOQZUBZJW-DLBZAZTESA-N
MW344.44 g/mol
LogP2.03
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide

3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide (PubChem CID 95191262) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide
PubChem CID95191262
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-18(20-17-13-16(17)14-7-3-1-4-8-14)11-12-19-24(22,23)15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2,(H,20,21)/t16-,17+/m0/s1
InChIKeyKSBUTVOQZUBZJW-DLBZAZTESA-N
XLogP2.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
N-[2-(aminomethyl)cyclohexyl]-3-(benzenesulfonamido)propanamide;hydrochloride
CID 119611414
3-(benzenesulfonamido)-N-(4-methylidene-2-oxocyclohexyl)propanamide
CID 159898736
N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide
CID 75509288
3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
CID 94694763
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
CID 129279668
3-(benzenesulfonamido)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46539927
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18119432
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide (CID 95191262) is 3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide?
The InChIKey is KSBUTVOQZUBZJW-DLBZAZTESA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(20-17-13-16(17)14-7-3-1-4-8-14)11-12-19-24(22,23)15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2,(H,20,21)/t16-,17+/m0/s1.
What are the key properties of 3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide?
3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide has a molecular weight of 344.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide is sourced from PubChem (CID 95191262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).