5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide

C22H26N4O3S — CID 57399908

IUPAC5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1ncn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H26N4O3S/c1-4-17(5-2)24-22(27)20-21(26(15-23-20)18-9-7-6-8-10-18)25-30(28,29)19-13-11-16(3)12-14-19/h6-15,17,25H,4-5H2,1-3H3,(H,24,27)
InChIKeyPGVDOQBTJPQKAP-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.90
Rot. Bonds8

About 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide

5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide (PubChem CID 57399908) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide
PubChem CID57399908
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1ncn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H26N4O3S/c1-4-17(5-2)24-22(27)20-21(26(15-23-20)18-9-7-6-8-10-18)25-30(28,29)19-13-11-16(3)12-14-19/h6-15,17,25H,4-5H2,1-3H3,(H,24,27)
InChIKeyPGVDOQBTJPQKAP-UHFFFAOYSA-N
XLogP3.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide (CID 57399908) is 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide is CCC(CC)NC(=O)c1ncn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide?
The InChIKey is PGVDOQBTJPQKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-17(5-2)24-22(27)20-21(26(15-23-20)18-9-7-6-8-10-18)25-30(28,29)19-13-11-16(3)12-14-19/h6-15,17,25H,4-5H2,1-3H3,(H,24,27).
What are the key properties of 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide?
5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylimidazole-4-carboxamide is sourced from PubChem (CID 57399908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).