3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide

C21H24N4O5S2 — CID 24601105

IUPAC3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)nc2ccccc21
InChIInChI=1S/C21H24N4O5S2/c1-2-11-25-19-9-4-3-8-18(19)22-21(25)23-20(26)15-6-5-7-17(13-15)32(29,30)24-16-10-12-31(27,28)14-16/h3-9,13,16,24H,2,10-12,14H2,1H3,(H,22,23,26)
InChIKeyRYZSDDCZYOTVOW-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.16
Rot. Bonds7

About 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide

3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide (PubChem CID 24601105) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
PubChem CID24601105
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC Name3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide
SMILESCCCn1c(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)nc2ccccc21
InChIInChI=1S/C21H24N4O5S2/c1-2-11-25-19-9-4-3-8-18(19)22-21(25)23-20(26)15-6-5-7-17(13-15)32(29,30)24-16-10-12-31(27,28)14-16/h3-9,13,16,24H,2,10-12,14H2,1H3,(H,22,23,26)
InChIKeyRYZSDDCZYOTVOW-UHFFFAOYSA-N
XLogP2.16
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
2-(1,1-dioxothiolan-3-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 78814283
N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
CID 25329934
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 24564536
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
N-(5-amino-1-propylbenzimidazol-2-yl)-3-(benzenesulfonamido)benzamide
CID 68789371

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide (CID 24601105) is 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide is CCCn1c(NC(=O)c2cccc(S(=O)(=O)NC3CCS(=O)(=O)C3)c2)nc2ccccc21.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide?
The InChIKey is RYZSDDCZYOTVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-2-11-25-19-9-4-3-8-18(19)22-21(25)23-20(26)15-6-5-7-17(13-15)32(29,30)24-16-10-12-31(27,28)14-16/h3-9,13,16,24H,2,10-12,14H2,1H3,(H,22,23,26).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide?
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide has a molecular weight of 476.58 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1-propylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 24601105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).