N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide

C24H22N4O3S — CID 2522571

IUPACN-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C24H22N4O3S/c1-15-7-12-18-20(13-15)28-24(27-18)32-14-22(29)25-17-10-8-16(9-11-17)23(30)26-19-5-3-4-6-21(19)31-2/h3-13H,14H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyVWSRRLJTFFWTOQ-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.86
Rot. Bonds7

About N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 2522571) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID2522571
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C24H22N4O3S/c1-15-7-12-18-20(13-15)28-24(27-18)32-14-22(29)25-17-10-8-16(9-11-17)23(30)26-19-5-3-4-6-21(19)31-2/h3-13H,14H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyVWSRRLJTFFWTOQ-UHFFFAOYSA-N
XLogP4.86
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[7-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325035
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 17324815
N-(2,4-dibromo-5-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4645173
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]benzamide
CID 40672353
N-(2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 4216988
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[6-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-phenylquinazolin-2-yl]phenyl]acetamide
CID 17325163
N-(2-ethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2610679
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 4793619
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 2172545
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 6460760
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethylbenzamide
CID 9245041

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide (CID 2522571) is N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is VWSRRLJTFFWTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-15-7-12-18-20(13-15)28-24(27-18)32-14-22(29)25-17-10-8-16(9-11-17)23(30)26-19-5-3-4-6-21(19)31-2/h3-13H,14H2,1-2H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 2522571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).