N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide

C15H22N2OS — CID 60661799

IUPACN-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide
SMILESO=C(CNCCSc1ccccc1)NC1CCCC1
InChIInChI=1S/C15H22N2OS/c18-15(17-13-6-4-5-7-13)12-16-10-11-19-14-8-2-1-3-9-14/h1-3,8-9,13,16H,4-7,10-12H2,(H,17,18)
InChIKeyKHJTWHDTBUHOGE-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.43
Rot. Bonds7

About N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide

N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide (PubChem CID 60661799) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide
PubChem CID60661799
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide
SMILESO=C(CNCCSc1ccccc1)NC1CCCC1
InChIInChI=1S/C15H22N2OS/c18-15(17-13-6-4-5-7-13)12-16-10-11-19-14-8-2-1-3-9-14/h1-3,8-9,13,16H,4-7,10-12H2,(H,17,18)
InChIKeyKHJTWHDTBUHOGE-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.43
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-cyclopropyl-3-(2-phenylsulfanylethylamino)propanamide
CID 55098586
N-[2-(cyclopropylamino)-2-oxoethyl]-4-phenylsulfanylbutanamide
CID 18163734
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
[2-(cyclohexylamino)-2-oxoethyl] 4-phenylsulfanylbutanoate
CID 86932164
N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide
CID 60698063
N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide
CID 71786219
1-cyclopentyl-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea
CID 9094657
N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92677205
N-cyclopentyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 114187749
N-cyclopropyl-N-ethyl-2-(2-phenylsulfanylethylamino)acetamide
CID 61487956
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide (CID 60661799) is N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide is O=C(CNCCSc1ccccc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide?
The InChIKey is KHJTWHDTBUHOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c18-15(17-13-6-4-5-7-13)12-16-10-11-19-14-8-2-1-3-9-14/h1-3,8-9,13,16H,4-7,10-12H2,(H,17,18).
What are the key properties of N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide?
N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide has a molecular weight of 278.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-phenylsulfanylethylamino)acetamide is sourced from PubChem (CID 60661799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).