2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide

C19H18N4O2S — CID 78797782

IUPAC2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H18N4O2S/c1-13-6-2-5-9-16(13)23-11-10-21-19(23)26-12-17(24)22-15-8-4-3-7-14(15)18(20)25/h2-11H,12H2,1H3,(H2,20,25)(H,22,24)
InChIKeyGKVPPPGPQHPXJO-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.01
Rot. Bonds6

About 2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide

2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide (PubChem CID 78797782) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
PubChem CID78797782
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
SMILESCc1ccccc1-n1ccnc1SCC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H18N4O2S/c1-13-6-2-5-9-16(13)23-11-10-21-19(23)26-12-17(24)22-15-8-4-3-7-14(15)18(20)25/h2-11H,12H2,1H3,(H2,20,25)(H,22,24)
InChIKeyGKVPPPGPQHPXJO-UHFFFAOYSA-N
XLogP3.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 34715637
N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41473059
N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55846055
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 56571740
N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 134028989
N-(3-cyanothiophen-2-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 17448336
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 94582080
N-(4-methylcyclohexyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 39756642
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43027460
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 34549840

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide?
The IUPAC name of 2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide (CID 78797782) is 2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide is Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide?
The InChIKey is GKVPPPGPQHPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13-6-2-5-9-16(13)23-11-10-21-19(23)26-12-17(24)22-15-8-4-3-7-14(15)18(20)25/h2-11H,12H2,1H3,(H2,20,25)(H,22,24).
What are the key properties of 2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide?
2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide has a molecular weight of 366.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 78797782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).