ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate

C23H28N4O5S — CID 46390547

IUPACethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc3c(cc2NS(=O)(=O)c2ccccc2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C23H28N4O5S/c1-4-32-22(28)16-10-12-27(13-11-16)19-15-21-20(25(2)23(29)26(21)3)14-18(19)24-33(30,31)17-8-6-5-7-9-17/h5-9,14-16,24H,4,10-13H2,1-3H3
InChIKeyCRRGVHIROAQSTG-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.46
Rot. Bonds6

About ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate

ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate (PubChem CID 46390547) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
PubChem CID46390547
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Nameethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc3c(cc2NS(=O)(=O)c2ccccc2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C23H28N4O5S/c1-4-32-22(28)16-10-12-27(13-11-16)19-15-21-20(25(2)23(29)26(21)3)14-18(19)24-33(30,31)17-8-6-5-7-9-17/h5-9,14-16,24H,4,10-13H2,1-3H3
InChIKeyCRRGVHIROAQSTG-UHFFFAOYSA-N
XLogP2.46
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[6-[(2-bromobenzoyl)amino]-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 24789848
ethyl 1-[1,3-dimethyl-6-[(4-methylphenyl)carbamoylamino]-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 50791911
ethyl 1-[6-(furan-2-carbonylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 22433283
ethyl 1-[6-[(2,4-dimethylphenyl)carbamoylamino]-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 50791937
ethyl 1-[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 30142685
ethyl 1-[2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 43888842
4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-3-[(3-methylphenyl)sulfonylamino]benzoic acid
CID 92888041
ethyl 1-[3-[(4-chlorophenyl)sulfonylamino]-1,4-dioxonaphthalen-2-yl]piperidine-4-carboxylate
CID 4587576
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate
CID 2320026
5-[(3,4-dimethoxyphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperidin-1-yl)benzoic acid
CID 50766555
3-[(2-chlorophenyl)sulfonylamino]-4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]benzoic acid
CID 92888037

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate (CID 46390547) is ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc3c(cc2NS(=O)(=O)c2ccccc2)n(C)c(=O)n3C)CC1.
What is the InChIKey of ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate?
The InChIKey is CRRGVHIROAQSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-4-32-22(28)16-10-12-27(13-11-16)19-15-21-20(25(2)23(29)26(21)3)14-18(19)24-33(30,31)17-8-6-5-7-9-17/h5-9,14-16,24H,4,10-13H2,1-3H3.
What are the key properties of ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate?
ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate has a molecular weight of 472.57 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(benzenesulfonamido)-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate is sourced from PubChem (CID 46390547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).