2-cyclopropyl-N-(4-sulfanylphenyl)acetamide

C11H13NOS — CID 68600520

IUPAC2-cyclopropyl-N-(4-sulfanylphenyl)acetamide
SMILESO=C(CC1CC1)Nc1ccc(S)cc1
InChIInChI=1S/C11H13NOS/c13-11(7-8-1-2-8)12-9-3-5-10(14)6-4-9/h3-6,8,14H,1-2,7H2,(H,12,13)
InChIKeyHSXOLQCGHVSSTB-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.71
Rot. Bonds3

About 2-cyclopropyl-N-(4-sulfanylphenyl)acetamide

2-cyclopropyl-N-(4-sulfanylphenyl)acetamide (PubChem CID 68600520) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(4-sulfanylphenyl)acetamide
PubChem CID68600520
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-cyclopropyl-N-(4-sulfanylphenyl)acetamide
SMILESO=C(CC1CC1)Nc1ccc(S)cc1
InChIInChI=1S/C11H13NOS/c13-11(7-8-1-2-8)12-9-3-5-10(14)6-4-9/h3-6,8,14H,1-2,7H2,(H,12,13)
InChIKeyHSXOLQCGHVSSTB-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-phenylacetamide
CID 60753326
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
2-cyclobutyl-N-(4-formylphenyl)acetamide
CID 106912258
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
2-cyclohexyl-N-(4-iodophenyl)acetamide
CID 807079
2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554847
2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide
CID 121319520
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
N-(6-bromonaphthalen-2-yl)-2-cyclopropylacetamide
CID 81004000
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
N-(6-amino-3-pyridinyl)-2-cyclopropylacetamide
CID 62901685

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(4-sulfanylphenyl)acetamide?
The IUPAC name of 2-cyclopropyl-N-(4-sulfanylphenyl)acetamide (CID 68600520) is 2-cyclopropyl-N-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for 2-cyclopropyl-N-(4-sulfanylphenyl)acetamide?
The canonical SMILES for 2-cyclopropyl-N-(4-sulfanylphenyl)acetamide is O=C(CC1CC1)Nc1ccc(S)cc1.
What is the InChIKey of 2-cyclopropyl-N-(4-sulfanylphenyl)acetamide?
The InChIKey is HSXOLQCGHVSSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c13-11(7-8-1-2-8)12-9-3-5-10(14)6-4-9/h3-6,8,14H,1-2,7H2,(H,12,13).
What are the key properties of 2-cyclopropyl-N-(4-sulfanylphenyl)acetamide?
2-cyclopropyl-N-(4-sulfanylphenyl)acetamide has a molecular weight of 207.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 68600520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).