N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide

C20H26N4O4S — CID 126611930

IUPACN-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide
SMILESCCCCn1cnc2c(NS(=O)(=O)CC)cc(-c3cc(OC)c(=O)n(C)c3)cc21
InChIInChI=1S/C20H26N4O4S/c1-5-7-8-24-13-21-19-16(22-29(26,27)6-2)9-14(10-17(19)24)15-11-18(28-4)20(25)23(3)12-15/h9-13,22H,5-8H2,1-4H3
InChIKeyQOGTXBAVEOREQM-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.97
Rot. Bonds8

About N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide

N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide (PubChem CID 126611930) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide
PubChem CID126611930
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide
SMILESCCCCn1cnc2c(NS(=O)(=O)CC)cc(-c3cc(OC)c(=O)n(C)c3)cc21
InChIInChI=1S/C20H26N4O4S/c1-5-7-8-24-13-21-19-16(22-29(26,27)6-2)9-14(10-17(19)24)15-11-18(28-4)20(25)23(3)12-15/h9-13,22H,5-8H2,1-4H3
InChIKeyQOGTXBAVEOREQM-UHFFFAOYSA-N
XLogP2.97
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide with MolForge

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Related Compounds

N-[1-[(2,4-difluorophenyl)methyl]-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide
CID 122623657
N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)benzotriazol-4-yl]ethanesulfonamide
CID 122623652
5-[5-butyl-2-[[ethyl(dihydroxy)-λ4-sulfanyl]methyl]pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one
CID 159639107
5-[3-[(3-fluorophenyl)methyl]-7-[[(1S)-1-hydroxypropyl]amino]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 122633736
5-[1-[(4-fluorophenyl)methyl]-4-(methylsulfanylamino)-3-(trifluoromethyl)indazol-6-yl]-3-methoxy-1-methylpyridin-2-one
CID 145172109
9-[2-[3,4-bis(3,4-dimethoxyphenyl)-2,5-dioxopyrrol-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
CID 72737414
3-butyl-6-chloro-5-methoxypyrimidin-4-one
CID 114585317
3-methoxy-1-methyl-5-pyrimidin-4-ylpyridin-2-one
CID 135334641
4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-6-methylbenzaldehyde;ethane
CID 145148169
N-[1-(1,1-dipyridin-2-ylethyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)indol-4-yl]ethanesulfonamide
CID 155461102
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
N-(5,6-dimethyl-1-propylbenzimidazol-4-yl)-4-methoxybenzenesulfonamide
CID 1476367

Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide (CID 126611930) is N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide is CCCCn1cnc2c(NS(=O)(=O)CC)cc(-c3cc(OC)c(=O)n(C)c3)cc21.
What is the InChIKey of N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide?
The InChIKey is QOGTXBAVEOREQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-5-7-8-24-13-21-19-16(22-29(26,27)6-2)9-14(10-17(19)24)15-11-18(28-4)20(25)23(3)12-15/h9-13,22H,5-8H2,1-4H3.
What are the key properties of N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide?
N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-6-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)benzimidazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 126611930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).