2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide

C14H17ClN2OS — CID 79149801

IUPAC2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(N)c(Cl)c1)C1=CCCC1
InChIInChI=1S/C14H17ClN2OS/c1-17(10-4-2-3-5-10)14(18)9-19-11-6-7-13(16)12(15)8-11/h4,6-8H,2-3,5,9,16H2,1H3
InChIKeySNWBFQBPHROLIA-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide

2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 79149801) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID79149801
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(N)c(Cl)c1)C1=CCCC1
InChIInChI=1S/C14H17ClN2OS/c1-17(10-4-2-3-5-10)14(18)9-19-11-6-7-13(16)12(15)8-11/h4,6-8H,2-3,5,9,16H2,1H3
InChIKeySNWBFQBPHROLIA-UHFFFAOYSA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide (CID 79149801) is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide is CN(C(=O)CSc1ccc(N)c(Cl)c1)C1=CCCC1.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is SNWBFQBPHROLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-17(10-4-2-3-5-10)14(18)9-19-11-6-7-13(16)12(15)8-11/h4,6-8H,2-3,5,9,16H2,1H3.
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 296.82 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 79149801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).