2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide

C16H20N2O2S — CID 71899005

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(C)C2=CCCC2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(19)17-13-7-9-15(10-8-13)21-11-16(20)18(2)14-5-3-4-6-14/h5,7-10H,3-4,6,11H2,1-2H3,(H,17,19)
InChIKeyIABCRIADPNDALZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.26
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide

2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 71899005) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID71899005
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCC(=O)Nc1ccc(SCC(=O)N(C)C2=CCCC2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(19)17-13-7-9-15(10-8-13)21-11-16(20)18(2)14-5-3-4-6-14/h5,7-10H,3-4,6,11H2,1-2H3,(H,17,19)
InChIKeyIABCRIADPNDALZ-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8819689
2-(4-amino-3-chlorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide
CID 79149801
2-(4-acetamidophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4790020
potassium 2-(4-acetamidophenyl)sulfanylacetate
CID 23700024
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
CID 43243226
N-(cyclopenten-1-yl)-N-methyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908869
N-[4-(2-cyclohexyl-2-oxoethyl)sulfanylphenyl]acetamide
CID 47138243
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-phenylacetamide
CID 42970232
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 8819417
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 51206705

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide (CID 71899005) is 2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide is CC(=O)Nc1ccc(SCC(=O)N(C)C2=CCCC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is IABCRIADPNDALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(19)17-13-7-9-15(10-8-13)21-11-16(20)18(2)14-5-3-4-6-14/h5,7-10H,3-4,6,11H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide?
2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 304.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 71899005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).