N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide

C20H20N4O3S — CID 55774767

IUPACN-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cccc(-n3ccnc3SC)c2)cc1
InChIInChI=1S/C20H20N4O3S/c1-27-13-18(25)22-15-6-8-16(9-7-15)23-19(26)14-4-3-5-17(12-14)24-11-10-21-20(24)28-2/h3-12H,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCKSNQNYIQQIQSE-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.43
Rot. Bonds7

About N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 55774767) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID55774767
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cccc(-n3ccnc3SC)c2)cc1
InChIInChI=1S/C20H20N4O3S/c1-27-13-18(25)22-15-6-8-16(9-7-15)23-19(26)14-4-3-5-17(12-14)24-11-10-21-20(24)28-2/h3-12H,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCKSNQNYIQQIQSE-UHFFFAOYSA-N
XLogP3.43
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774099
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55868220
ethyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 22224839
3-[2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylimidazol-1-yl]-N-phenylbenzamide
CID 51363244
3-(2-methylsulfanylimidazol-1-yl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 86961638
N-(1-hydroxypentan-3-yl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 109479308
2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 55771473
methyl 3-(4-bromophenyl)-3-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]propanoate
CID 55775591
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774580
N-(6-methoxy-3-pyridinyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 48735281

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 55774767) is N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide is COCC(=O)Nc1ccc(NC(=O)c2cccc(-n3ccnc3SC)c2)cc1.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is CKSNQNYIQQIQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-27-13-18(25)22-15-6-8-16(9-7-15)23-19(26)14-4-3-5-17(12-14)24-11-10-21-20(24)28-2/h3-12H,13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 55774767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).