3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide

C18H19N3O3S2 — CID 992142

IUPAC3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSc1nc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S2/c1-2-19-17(22)12-13-25-18-20-15-10-6-7-11-16(15)21(18)26(23,24)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,22)
InChIKeyMTCMBVPBFLJILG-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.89
Rot. Bonds7

About 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide

3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide (PubChem CID 992142) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide
PubChem CID992142
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSc1nc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S2/c1-2-19-17(22)12-13-25-18-20-15-10-6-7-11-16(15)21(18)26(23,24)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,22)
InChIKeyMTCMBVPBFLJILG-UHFFFAOYSA-N
XLogP2.89
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide?
The IUPAC name of 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide (CID 992142) is 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide.
What is the SMILES notation for 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide?
The canonical SMILES for 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide is CCNC(=O)CCSc1nc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide?
The InChIKey is MTCMBVPBFLJILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-2-19-17(22)12-13-25-18-20-15-10-6-7-11-16(15)21(18)26(23,24)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,19,22).
What are the key properties of 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide?
3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide has a molecular weight of 389.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 992142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).