cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide

C17H24N2O2S — CID 96519273

IUPACcis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@H]1NC(=O)CSCCCc1ccccc1
InChIInChI=1S/C17H24N2O2S/c18-17(21)14-9-4-10-15(14)19-16(20)12-22-11-5-8-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H2,18,21)(H,19,20)/t14-,15+/m0/s1
InChIKeyHMNHVAUGUILJAC-LSDHHAIUSA-N
MW320.46 g/mol
LogP2.12
Rot. Bonds8

About cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide

cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide (PubChem CID 96519273) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide
PubChem CID96519273
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Namecis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@H]1NC(=O)CSCCCc1ccccc1
InChIInChI=1S/C17H24N2O2S/c18-17(21)14-9-4-10-15(14)19-16(20)12-22-11-5-8-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H2,18,21)(H,19,20)/t14-,15+/m0/s1
InChIKeyHMNHVAUGUILJAC-LSDHHAIUSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
CID 76978572
2-(3-pyridin-3-ylpropanoylamino)cyclopentane-1-carboxamide
CID 71989741
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide
CID 99795342
2-(4-phenylbutylsulfanyl)acetamide
CID 10799130
2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide
CID 62366139
N-(2-bromocyclopentyl)-4-phenylbutanamide
CID 80663026
2-(3-phenylpropylsulfanyl)-N-prop-2-enylacetamide
CID 78786828
2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 126584625
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
2-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 71989735

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide (CID 96519273) is cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide is NC(=O)[C@H]1CCC[C@H]1NC(=O)CSCCCc1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide?
The InChIKey is HMNHVAUGUILJAC-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H24N2O2S/c18-17(21)14-9-4-10-15(14)19-16(20)12-22-11-5-8-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H2,18,21)(H,19,20)/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide?
cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 96519273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).