cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide

C17H21N3O4S — CID 136583205

IUPACcis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)[C@@H]3C[C@H]3C3CCC3)ccc21
InChIInChI=1S/C17H21N3O4S/c1-19-14-7-6-11(8-15(14)20(2)17(19)22)25(23,24)18-16(21)13-9-12(13)10-4-3-5-10/h6-8,10,12-13H,3-5,9H2,1-2H3,(H,18,21)/t12-,13+/m0/s1
InChIKeyTXFHLEKWJSSQQG-QWHCGFSZSA-N
MW363.44 g/mol
LogP1.12
Rot. Bonds4

About cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide

cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide (PubChem CID 136583205) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide
PubChem CID136583205
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Namecis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)[C@@H]3C[C@H]3C3CCC3)ccc21
InChIInChI=1S/C17H21N3O4S/c1-19-14-7-6-11(8-15(14)20(2)17(19)22)25(23,24)18-16(21)13-9-12(13)10-4-3-5-10/h6-8,10,12-13H,3-5,9H2,1-2H3,(H,18,21)/t12-,13+/m0/s1
InChIKeyTXFHLEKWJSSQQG-QWHCGFSZSA-N
XLogP1.12
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide
CID 146146413
1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
CID 119960641
5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-1,3-dimethylbenzimidazol-2-one
CID 49454545
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 7573828
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 129398844
trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
CID 99708524
cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide
CID 154763032
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
CID 35141950
N-[1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 49456349
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 49454548

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide (CID 136583205) is cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)[C@@H]3C[C@H]3C3CCC3)ccc21.
What is the InChIKey of cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is TXFHLEKWJSSQQG-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-19-14-7-6-11(8-15(14)20(2)17(19)22)25(23,24)18-16(21)13-9-12(13)10-4-3-5-10/h6-8,10,12-13H,3-5,9H2,1-2H3,(H,18,21)/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-cyclobutyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 136583205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).