2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide

C12H17ClN2OS — CID 79133437

IUPAC2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CSc1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-8(2)15(3)12(16)7-17-11-6-9(14)4-5-10(11)13/h4-6,8H,7,14H2,1-3H3
InChIKeyGHIWWRLYGPNTIT-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.88
Rot. Bonds4

About 2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide

2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide (PubChem CID 79133437) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
PubChem CID79133437
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CSc1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-8(2)15(3)12(16)7-17-11-6-9(14)4-5-10(11)13/h4-6,8H,7,14H2,1-3H3
InChIKeyGHIWWRLYGPNTIT-UHFFFAOYSA-N
XLogP2.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.88
H-Bond Donors ≤ 51
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-chlorophenyl)sulfanyl-N,N-dibutylacetamide
CID 79127344
2-(5-amino-2-chlorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 79127346
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119582804
2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79134546
4-chloro-3-(2-chloroprop-2-enylsulfanyl)aniline
CID 79133542
butyl 2-(5-amino-2-chlorophenyl)sulfanylacetate
CID 79133347
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79148103
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 43247392
2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 79126696
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 9167168
2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide
CID 79134085
2-(5-amino-2-chlorophenyl)sulfanyl-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 79133889

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide (CID 79133437) is 2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CSc1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
The InChIKey is GHIWWRLYGPNTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-8(2)15(3)12(16)7-17-11-6-9(14)4-5-10(11)13/h4-6,8H,7,14H2,1-3H3.
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide?
2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide has a molecular weight of 272.80 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 79133437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).