2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C22H26N4O3S2 — CID 3642390

IUPAC2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCSc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26N4O3S2/c1-2-30-22-24-19-11-4-5-12-20(19)26(22)16-21(27)23-17-9-8-10-18(15-17)31(28,29)25-13-6-3-7-14-25/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,23,27)
InChIKeyMEKSLWQNVGKOAX-UHFFFAOYSA-N
MW458.61 g/mol
LogP3.96
Rot. Bonds7

About 2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3642390) has the molecular formula C22H26N4O3S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID3642390
Molecular FormulaC22H26N4O3S2
Molecular Weight458.61 g/mol
Exact Mass458.14
IUPAC Name2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCSc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26N4O3S2/c1-2-30-22-24-19-11-4-5-12-20(19)26(22)16-21(27)23-17-9-8-10-18(15-17)31(28,29)25-13-6-3-7-14-25/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,23,27)
InChIKeyMEKSLWQNVGKOAX-UHFFFAOYSA-N
XLogP3.96
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(1S)-1-[1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 98405693
2-pyrazol-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 39723892
2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 27335104
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809634
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809633
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 4870004
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55705772
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7753229

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 3642390) is 2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is CCSc1nc2ccccc2n1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is MEKSLWQNVGKOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S2/c1-2-30-22-24-19-11-4-5-12-20(19)26(22)16-21(27)23-17-9-8-10-18(15-17)31(28,29)25-13-6-3-7-14-25/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,23,27).
What are the key properties of 2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 458.61 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylbenzimidazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3642390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).