3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide

C19H21N3O5S — CID 46377654

IUPAC3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H21N3O5S/c1-21-16-8-7-15(12-17(16)22(2)19(21)24)28(25,26)10-9-18(23)20-13-5-4-6-14(11-13)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)
InChIKeyUOISKGCGFUTCSC-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.69
Rot. Bonds6

About 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide

3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide (PubChem CID 46377654) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide
PubChem CID46377654
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H21N3O5S/c1-21-16-8-7-15(12-17(16)22(2)19(21)24)28(25,26)10-9-18(23)20-13-5-4-6-14(11-13)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)
InChIKeyUOISKGCGFUTCSC-UHFFFAOYSA-N
XLogP1.69
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(4-methoxyphenyl)propanamide
CID 23603056
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 23603100
N-(3-methoxyphenyl)-3-[[(3R)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl]sulfonyl]propanamide
CID 95090372
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-ethylphenyl)acetamide
CID 50784564
N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435
N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylacetamide
CID 50784560
3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(3-methoxyphenyl)propanamide
CID 20902876
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
CID 4307145
1-(3-methoxyphenyl)-3-[3-(4-methylphenyl)sulfonylpropanoylamino]thiourea
CID 9158195
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide
CID 92686106

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide (CID 46377654) is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide?
The InChIKey is UOISKGCGFUTCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-21-16-8-7-15(12-17(16)22(2)19(21)24)28(25,26)10-9-18(23)20-13-5-4-6-14(11-13)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,23).
What are the key properties of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide?
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide has a molecular weight of 403.46 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 46377654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).