N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide

C15H20N2O2S — CID 107026216

IUPACN-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide
SMILESNC(=O)CN(C(=O)Cc1ccc(S)cc1)C1CCCC1
InChIInChI=1S/C15H20N2O2S/c16-14(18)10-17(12-3-1-2-4-12)15(19)9-11-5-7-13(20)8-6-11/h5-8,12,20H,1-4,9-10H2,(H2,16,18)
InChIKeyKVYWSNPXOBVRRX-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.77
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide

N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107026216) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide
PubChem CID107026216
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide
SMILESNC(=O)CN(C(=O)Cc1ccc(S)cc1)C1CCCC1
InChIInChI=1S/C15H20N2O2S/c16-14(18)10-17(12-3-1-2-4-12)15(19)9-11-5-7-13(20)8-6-11/h5-8,12,20H,1-4,9-10H2,(H2,16,18)
InChIKeyKVYWSNPXOBVRRX-UHFFFAOYSA-N
XLogP1.77
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide
CID 63589438
N-(2-amino-2-oxoethyl)-2-(1,3-benzodioxol-5-yl)-N-cyclopentylacetamide
CID 56798331
N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107032471
N-(2-amino-2-oxoethyl)-2-(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 60801057
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107026531
2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 60826593
2-(4-aminophenyl)-N-cyclohexyl-N-(cyclopropylmethyl)acetamide
CID 119769987
N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide
CID 107030502
2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102858984
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
N-cyclobutyl-2-(4-sulfanylphenyl)acetamide
CID 107028316

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide (CID 107026216) is N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide is NC(=O)CN(C(=O)Cc1ccc(S)cc1)C1CCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is KVYWSNPXOBVRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-14(18)10-17(12-3-1-2-4-12)15(19)9-11-5-7-13(20)8-6-11/h5-8,12,20H,1-4,9-10H2,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide?
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107026216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).