2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide

C16H15N3O2S — CID 2823056

IUPAC2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1NC(=O)N(Cc1cccs1)C(=O)CC#N
InChIInChI=1S/C16H15N3O2S/c1-12-5-2-3-7-14(12)18-16(21)19(15(20)8-9-17)11-13-6-4-10-22-13/h2-7,10H,8,11H2,1H3,(H,18,21)
InChIKeyQYTUJMPHFZSQJR-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.53
Rot. Bonds4

About 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide

2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2823056) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2823056
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1NC(=O)N(Cc1cccs1)C(=O)CC#N
InChIInChI=1S/C16H15N3O2S/c1-12-5-2-3-7-14(12)18-16(21)19(15(20)8-9-17)11-13-6-4-10-22-13/h2-7,10H,8,11H2,1H3,(H,18,21)
InChIKeyQYTUJMPHFZSQJR-UHFFFAOYSA-N
XLogP3.53
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide (CID 2823056) is 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccccc1NC(=O)N(Cc1cccs1)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QYTUJMPHFZSQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-5-2-3-7-14(12)18-16(21)19(15(20)8-9-17)11-13-6-4-10-22-13/h2-7,10H,8,11H2,1H3,(H,18,21).
What are the key properties of 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide?
2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-methylphenyl)carbamoyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2823056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).