2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

C15H17ClN2OS2 — CID 79129036

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCc1cc(SCC(=O)N(C)Cc2ccc(Cl)s2)ccc1N
InChIInChI=1S/C15H17ClN2OS2/c1-10-7-11(3-5-13(10)17)20-9-15(19)18(2)8-12-4-6-14(16)21-12/h3-7H,8-9,17H2,1-2H3
InChIKeyYXLRWAURIPSXLD-UHFFFAOYSA-N
MW340.90 g/mol
LogP4.04
Rot. Bonds5

About 2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 79129036) has the molecular formula C15H17ClN2OS2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
PubChem CID79129036
Molecular FormulaC15H17ClN2OS2
Molecular Weight340.90 g/mol
Exact Mass340.05
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
SMILESCc1cc(SCC(=O)N(C)Cc2ccc(Cl)s2)ccc1N
InChIInChI=1S/C15H17ClN2OS2/c1-10-7-11(3-5-13(10)17)20-9-15(19)18(2)8-12-4-6-14(16)21-12/h3-7H,8-9,17H2,1-2H3
InChIKeyYXLRWAURIPSXLD-UHFFFAOYSA-N
XLogP4.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-fluorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 43304154
2-(5-amino-2-chlorophenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 79127346
2-(4-amino-3-methylphenyl)sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 79148103
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] carbamimidothioate
CID 36522118
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 39735396
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
N-[(5-chlorothiophen-2-yl)methyl]-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 24519499
2-(4-amino-3-fluorophenyl)sulfanyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 79130470
N-[(5-chlorothiophen-2-yl)methyl]-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 51320888
2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
CID 79150403
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-ethylacetamide
CID 55361145

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide (CID 79129036) is 2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is Cc1cc(SCC(=O)N(C)Cc2ccc(Cl)s2)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is YXLRWAURIPSXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS2/c1-10-7-11(3-5-13(10)17)20-9-15(19)18(2)8-12-4-6-14(16)21-12/h3-7H,8-9,17H2,1-2H3.
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 340.90 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 79129036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).