4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide

C19H22N4O3S2 — CID 139008702

IUPAC4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide
SMILESCCc1nc2ccccc2n1C1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C19H22N4O3S2/c1-2-17-21-15-7-3-4-8-16(15)23(17)14-6-5-9-22(11-14)19(24)13-10-18(27-12-13)28(20,25)26/h3-4,7-8,10,12,14H,2,5-6,9,11H2,1H3,(H2,20,25,26)
InChIKeyIAILYIKUGVOAMN-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.78
Rot. Bonds4

About 4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide

4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide (PubChem CID 139008702) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide
PubChem CID139008702
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC Name4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide
SMILESCCc1nc2ccccc2n1C1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C19H22N4O3S2/c1-2-17-21-15-7-3-4-8-16(15)23(17)14-6-5-9-22(11-14)19(24)13-10-18(27-12-13)28(20,25)26/h3-4,7-8,10,12,14H,2,5-6,9,11H2,1H3,(H2,20,25,26)
InChIKeyIAILYIKUGVOAMN-UHFFFAOYSA-N
XLogP2.78
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide (CID 139008702) is 4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide is CCc1nc2ccccc2n1C1CCCN(C(=O)c2csc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
The InChIKey is IAILYIKUGVOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-2-17-21-15-7-3-4-8-16(15)23(17)14-6-5-9-22(11-14)19(24)13-10-18(27-12-13)28(20,25)26/h3-4,7-8,10,12,14H,2,5-6,9,11H2,1H3,(H2,20,25,26).
What are the key properties of 4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide?
4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide has a molecular weight of 418.54 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide is sourced from PubChem (CID 139008702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).