2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide

C11H11ClN2OS — CID 43304981

IUPAC2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSc1c(N)cccc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-2-6-14-10(15)7-16-11-8(12)4-3-5-9(11)13/h1,3-5H,6-7,13H2,(H,14,15)
InChIKeyYLLOSAOSHQTLJF-UHFFFAOYSA-N
MW254.74 g/mol
LogP1.76
Rot. Bonds4

About 2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide

2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide (PubChem CID 43304981) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
PubChem CID43304981
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CSc1c(N)cccc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-2-6-14-10(15)7-16-11-8(12)4-3-5-9(11)13/h1,3-5H,6-7,13H2,(H,14,15)
InChIKeyYLLOSAOSHQTLJF-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide
CID 43304833
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43304736
2-(2-amino-6-chlorophenyl)sulfanylacetic acid
CID 61318232
4-[[2-(2-amino-6-chlorophenyl)sulfanylacetyl]amino]butanoic acid
CID 43304528
2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylpropanamide
CID 43304841
2-(2-amino-5-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79527889
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
2-(2-amino-3-methylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79147339
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428
2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 43304961
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 43304793
2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide
CID 43304756

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide (CID 43304981) is 2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide is C#CCNC(=O)CSc1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide?
The InChIKey is YLLOSAOSHQTLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-2-6-14-10(15)7-16-11-8(12)4-3-5-9(11)13/h1,3-5H,6-7,13H2,(H,14,15).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide?
2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide has a molecular weight of 254.74 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 43304981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).