3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide

C18H24N2O3S — CID 97077046

IUPAC3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide
SMILESO=C(C[S@@](=O)C1CCCC1)NCc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H24N2O3S/c21-17(12-24(23)16-6-1-2-7-16)19-11-13-4-3-5-14(10-13)18(22)20-15-8-9-15/h3-5,10,15-16H,1-2,6-9,11-12H2,(H,19,21)(H,20,22)/t24-/m1/s1
InChIKeySLZUNOIAEMJZPO-XMMPIXPASA-N
MW348.47 g/mol
LogP1.89
Rot. Bonds7

About 3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide

3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide (PubChem CID 97077046) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide
PubChem CID97077046
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide
SMILESO=C(C[S@@](=O)C1CCCC1)NCc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H24N2O3S/c21-17(12-24(23)16-6-1-2-7-16)19-11-13-4-3-5-14(10-13)18(22)20-15-8-9-15/h3-5,10,15-16H,1-2,6-9,11-12H2,(H,19,21)(H,20,22)/t24-/m1/s1
InChIKeySLZUNOIAEMJZPO-XMMPIXPASA-N
XLogP1.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
CID 119296114
N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide
CID 91518477
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
3-(cyanomethyl)-N-cyclopentylbenzamide
CID 82178994
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
3-[[[N-(3-ethylsulfinylcyclohexyl)-N'-methylcarbamimidoyl]amino]methyl]-N-propylbenzamide
CID 109440751
3-[[[2-(cyclopropylamino)-2-oxoethyl]amino]methyl]benzoic acid
CID 103239145

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide (CID 97077046) is 3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide is O=C(C[S@@](=O)C1CCCC1)NCc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide?
The InChIKey is SLZUNOIAEMJZPO-XMMPIXPASA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-17(12-24(23)16-6-1-2-7-16)19-11-13-4-3-5-14(10-13)18(22)20-15-8-9-15/h3-5,10,15-16H,1-2,6-9,11-12H2,(H,19,21)(H,20,22)/t24-/m1/s1.
What are the key properties of 3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide?
3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide has a molecular weight of 348.47 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[(R)-cyclopentylsulfinyl]acetyl]amino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 97077046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).