2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide

C15H23ClN2OS — CID 79134546

IUPAC2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CSc1cc(N)ccc1Cl
InChIInChI=1S/C15H23ClN2OS/c1-10(2)4-5-11(3)18-15(19)9-20-14-8-12(17)6-7-13(14)16/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyDDDSZNBDQJHYAZ-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.96
Rot. Bonds7

About 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide

2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide (PubChem CID 79134546) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
PubChem CID79134546
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CSc1cc(N)ccc1Cl
InChIInChI=1S/C15H23ClN2OS/c1-10(2)4-5-11(3)18-15(19)9-20-14-8-12(17)6-7-13(14)16/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyDDDSZNBDQJHYAZ-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.96
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-(5-amino-2-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79141614
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79148077
2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79133437
N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 120507413
2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 79126696
2-(4-amino-2-bromophenyl)sulfanyl-N-heptan-2-ylacetamide
CID 82840579
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
4-chloro-3-(2-chloroprop-2-enylsulfanyl)aniline
CID 79133542
2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128069
butyl 2-(5-amino-2-chlorophenyl)sulfanylacetate
CID 79133347
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 43238522
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide (CID 79134546) is 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide is CC(C)CCC(C)NC(=O)CSc1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is DDDSZNBDQJHYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c1-10(2)4-5-11(3)18-15(19)9-20-14-8-12(17)6-7-13(14)16/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide?
2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 314.88 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 79134546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).