2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide

C13H19ClN2OS — CID 79149634

IUPAC2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSc1ccc(N)c(Cl)c1
InChIInChI=1S/C13H19ClN2OS/c1-8(2)9(3)16-13(17)7-18-10-4-5-12(15)11(14)6-10/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyHNUAVOTZRWZCQV-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.17
Rot. Bonds5

About 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide

2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 79149634) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
PubChem CID79149634
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSc1ccc(N)c(Cl)c1
InChIInChI=1S/C13H19ClN2OS/c1-8(2)9(3)16-13(17)7-18-10-4-5-12(15)11(14)6-10/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)
InChIKeyHNUAVOTZRWZCQV-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43299357
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79149534
N-[2-(4-amino-3-chlorophenyl)sulfanylacetyl]benzamide
CID 79130535
2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
CID 79150403
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43302612
2-acetamido-3-(4-amino-3-chlorophenyl)sulfanylpropanoic acid
CID 79149694
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 79149469
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79148077
2-(2-amino-5-ethoxyphenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79527004
2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide
CID 79130220
2-(4-amino-3-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79129071

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (CID 79149634) is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CSc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is HNUAVOTZRWZCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-8(2)9(3)16-13(17)7-18-10-4-5-12(15)11(14)6-10/h4-6,8-9H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 286.83 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79149634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).