2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide

C14H19N3O2S — CID 43299295

IUPAC2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
SMILESNc1ccc(SCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H19N3O2S/c15-10-5-7-12(8-6-10)20-9-13(18)17-14(19)16-11-3-1-2-4-11/h5-8,11H,1-4,9,15H2,(H2,16,17,18,19)
InChIKeyDIKQUNGCPVMAJC-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide

2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 43299295) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
PubChem CID43299295
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
SMILESNc1ccc(SCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H19N3O2S/c15-10-5-7-12(8-6-10)20-9-13(18)17-14(19)16-11-3-1-2-4-11/h5-8,11H,1-4,9,15H2,(H2,16,17,18,19)
InChIKeyDIKQUNGCPVMAJC-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
N-(cyclohexylcarbamoyl)-2-naphthalen-2-ylsulfanylacetamide
CID 17431041
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43301222
2-(4-aminophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 61026518
2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43250989
N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 7415704
2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 4845048
2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 43249110
4-amino-N-(cyclopentylcarbamoyl)benzamide
CID 108902754
2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 54908932
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide (CID 43299295) is 2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide is Nc1ccc(SCC(=O)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is DIKQUNGCPVMAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-10-5-7-12(8-6-10)20-9-13(18)17-14(19)16-11-3-1-2-4-11/h5-8,11H,1-4,9,15H2,(H2,16,17,18,19).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 293.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 43299295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).