N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide

C16H24N2OS — CID 107029703

IUPACN-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
SMILESCN(CCNC(=O)Cc1ccc(S)cc1)C1CCCC1
InChIInChI=1S/C16H24N2OS/c1-18(14-4-2-3-5-14)11-10-17-16(19)12-13-6-8-15(20)9-7-13/h6-9,14,20H,2-5,10-12H2,1H3,(H,17,19)
InChIKeyKXVHDOCQQWKJBX-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.51
Rot. Bonds6

About N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide

N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide (PubChem CID 107029703) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
PubChem CID107029703
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
SMILESCN(CCNC(=O)Cc1ccc(S)cc1)C1CCCC1
InChIInChI=1S/C16H24N2OS/c1-18(14-4-2-3-5-14)11-10-17-16(19)12-13-6-8-15(20)9-7-13/h6-9,14,20H,2-5,10-12H2,1H3,(H,17,19)
InChIKeyKXVHDOCQQWKJBX-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.51
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

N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056718
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-cyclobutyl-2-(4-sulfanylphenyl)acetamide
CID 107028316
N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107421052
N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide
CID 86849216
N-[2-[cyclohexyl(methyl)amino]ethyl]pentanamide
CID 86848662
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316373
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide
CID 110025076

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide (CID 107029703) is N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide is CN(CCNC(=O)Cc1ccc(S)cc1)C1CCCC1.
What is the InChIKey of N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide?
The InChIKey is KXVHDOCQQWKJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-18(14-4-2-3-5-14)11-10-17-16(19)12-13-6-8-15(20)9-7-13/h6-9,14,20H,2-5,10-12H2,1H3,(H,17,19).
What are the key properties of N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide?
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide has a molecular weight of 292.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107029703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).