1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide

C18H21N3O4S — CID 17252071

IUPAC1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc21
InChIInChI=1S/C18H21N3O4S/c1-4-20-15-11-10-13(12-16(15)21(5-2)18(20)22)26(23,24)19-14-8-6-7-9-17(14)25-3/h6-12,19H,4-5H2,1-3H3
InChIKeyXTHWACXNMWPXCO-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.65
Rot. Bonds6

About 1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide

1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide (PubChem CID 17252071) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide
PubChem CID17252071
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide
SMILESCCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc21
InChIInChI=1S/C18H21N3O4S/c1-4-20-15-11-10-13(12-16(15)21(5-2)18(20)22)26(23,24)19-14-8-6-7-9-17(14)25-3/h6-12,19H,4-5H2,1-3H3
InChIKeyXTHWACXNMWPXCO-UHFFFAOYSA-N
XLogP2.65
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
CID 17252069
1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide
CID 3245256
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
CID 17252079
3-ethyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100725199
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
1,3-diethyl-N-(3-fluoro-4-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 17252073
1,3-diethyl-2-oxobenzimidazole-5-sulfonyl chloride
CID 82048446
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide (CID 17252071) is 1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide is CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc21.
What is the InChIKey of 1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is XTHWACXNMWPXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-4-20-15-11-10-13(12-16(15)21(5-2)18(20)22)26(23,24)19-14-8-6-7-9-17(14)25-3/h6-12,19H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide?
1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-N-(2-methoxyphenyl)-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 17252071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).