N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide

C18H27NOS — CID 107032471

IUPACN-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC(C)CCN(C(=O)Cc1ccc(S)cc1)C1CCCC1
InChIInChI=1S/C18H27NOS/c1-14(2)11-12-19(16-5-3-4-6-16)18(20)13-15-7-9-17(21)10-8-15/h7-10,14,16,21H,3-6,11-13H2,1-2H3
InChIKeyBGFFFICWLSPSRA-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.34
Rot. Bonds6

About N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide

N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107032471) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107032471
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC NameN-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC(C)CCN(C(=O)Cc1ccc(S)cc1)C1CCCC1
InChIInChI=1S/C18H27NOS/c1-14(2)11-12-19(16-5-3-4-6-16)18(20)13-15-7-9-17(21)10-8-15/h7-10,14,16,21H,3-6,11-13H2,1-2H3
InChIKeyBGFFFICWLSPSRA-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107026531
2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 78990662
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-sulfanylphenyl)acetamide
CID 107026216
N-cyclopentyl-2-fluoro-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107032474
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107029703
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102858984

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide (CID 107032471) is N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide is CC(C)CCN(C(=O)Cc1ccc(S)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is BGFFFICWLSPSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-14(2)11-12-19(16-5-3-4-6-16)18(20)13-15-7-9-17(21)10-8-15/h7-10,14,16,21H,3-6,11-13H2,1-2H3.
What are the key properties of N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide?
N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 305.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107032471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).