2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide

C18H18FN3O4S — CID 50784533

IUPAC2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C18H18FN3O4S/c1-11-4-5-12(8-14(11)19)20-17(23)10-27(25,26)13-6-7-15-16(9-13)22(3)18(24)21(15)2/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyNRAWUERYVFFHAI-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.74
Rot. Bonds4

About 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide

2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 50784533) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID50784533
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C18H18FN3O4S/c1-11-4-5-12(8-14(11)19)20-17(23)10-27(25,26)13-6-7-15-16(9-13)22(3)18(24)21(15)2/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyNRAWUERYVFFHAI-UHFFFAOYSA-N
XLogP1.74
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784543
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide
CID 50784564
N-(4-bromo-2-fluorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784522
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784526
2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 19259576
N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784560
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide
CID 46377654
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-ethylamino]-N-(4-methylphenyl)acetamide
CID 19259500
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 86992863
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide (CID 50784533) is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1F.
What is the InChIKey of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is NRAWUERYVFFHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c1-11-4-5-12(8-14(11)19)20-17(23)10-27(25,26)13-6-7-15-16(9-13)22(3)18(24)21(15)2/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide?
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 391.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 50784533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).