2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

C21H22N4O2S — CID 8005895

IUPAC2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2nccn2Cc2ccccc2)c(C)c1
InChIInChI=1S/C21H22N4O2S/c1-15-8-9-18(16(2)12-15)23-20(27)24-19(26)14-28-21-22-10-11-25(21)13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H2,23,24,26,27)
InChIKeyGXIAXQOYNUBEMQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.99
Rot. Bonds6

About 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide

2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (PubChem CID 8005895) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
PubChem CID8005895
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2nccn2Cc2ccccc2)c(C)c1
InChIInChI=1S/C21H22N4O2S/c1-15-8-9-18(16(2)12-15)23-20(27)24-19(26)14-28-21-22-10-11-25(21)13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H2,23,24,26,27)
InChIKeyGXIAXQOYNUBEMQ-UHFFFAOYSA-N
XLogP3.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide (CID 8005895) is 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is Cc1ccc(NC(=O)NC(=O)CSc2nccn2Cc2ccccc2)c(C)c1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
The InChIKey is GXIAXQOYNUBEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15-8-9-18(16(2)12-15)23-20(27)24-19(26)14-28-21-22-10-11-25(21)13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H2,23,24,26,27).
What are the key properties of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide?
2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide has a molecular weight of 394.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 8005895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).