N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide

C20H18ClNOS — CID 142192442

IUPACN-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide
SMILESCC(=O)N(Cc1cccc(Cl)c1)c1cc(-c2ccccc2)sc1C
InChIInChI=1S/C20H18ClNOS/c1-14-19(12-20(24-14)17-8-4-3-5-9-17)22(15(2)23)13-16-7-6-10-18(21)11-16/h3-12H,13H2,1-2H3
InChIKeyHTKSMTXMPBYZAJ-UHFFFAOYSA-N
MW355.89 g/mol
LogP5.93
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide

N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide (PubChem CID 142192442) has the molecular formula C20H18ClNOS and a molecular weight of 355.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide
PubChem CID142192442
Molecular FormulaC20H18ClNOS
Molecular Weight355.89 g/mol
Exact Mass355.08
IUPAC NameN-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide
SMILESCC(=O)N(Cc1cccc(Cl)c1)c1cc(-c2ccccc2)sc1C
InChIInChI=1S/C20H18ClNOS/c1-14-19(12-20(24-14)17-8-4-3-5-9-17)22(15(2)23)13-16-7-6-10-18(21)11-16/h3-12H,13H2,1-2H3
InChIKeyHTKSMTXMPBYZAJ-UHFFFAOYSA-N
XLogP5.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.89
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide;formic acid
CID 142192441
[3-[(3-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68799598
N-[(4-chlorophenyl)methyl]-N,2-dimethyl-5-phenylthiophen-3-amine
CID 142192555
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
N-benzyl-N-(2,3-dimethylphenyl)acetamide
CID 71247731
N-(2-acetyl-5-phenylthiophen-3-yl)-N-benzyl-2-cyclopentylacetamide
CID 70974316
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513628
[3-[(4-chlorophenyl)methyl-(3-methylbutanoyl)amino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68800429
4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-prop-2-enylpentanamide
CID 123927746
2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
CID 39443934
N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 26604586

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide (CID 142192442) is N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide is CC(=O)N(Cc1cccc(Cl)c1)c1cc(-c2ccccc2)sc1C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide?
The InChIKey is HTKSMTXMPBYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNOS/c1-14-19(12-20(24-14)17-8-4-3-5-9-17)22(15(2)23)13-16-7-6-10-18(21)11-16/h3-12H,13H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide?
N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide has a molecular weight of 355.89 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-(2-methyl-5-phenylthiophen-3-yl)acetamide is sourced from PubChem (CID 142192442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).