3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide

C26H34N4O3S — CID 32737011

IUPAC3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide
SMILESCCCCn1c(CCC(=O)Nc2cccc(CC)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C26H34N4O3S/c1-3-5-17-30-24-12-11-22(34(32,33)29-15-6-7-16-29)19-23(24)28-25(30)13-14-26(31)27-21-10-8-9-20(4-2)18-21/h8-12,18-19H,3-7,13-17H2,1-2H3,(H,27,31)
InChIKeyGPOZTWGIXRKZEK-UHFFFAOYSA-N
MW482.65 g/mol
LogP4.75
Rot. Bonds10

About 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide

3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide (PubChem CID 32737011) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide
PubChem CID32737011
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC Name3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide
SMILESCCCCn1c(CCC(=O)Nc2cccc(CC)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C26H34N4O3S/c1-3-5-17-30-24-12-11-22(34(32,33)29-15-6-7-16-29)19-23(24)28-25(30)13-14-26(31)27-21-10-8-9-20(4-2)18-21/h8-12,18-19H,3-7,13-17H2,1-2H3,(H,27,31)
InChIKeyGPOZTWGIXRKZEK-UHFFFAOYSA-N
XLogP4.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethynylphenyl)propanamide
CID 31063333
N-methyl-3-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoylamino]benzamide
CID 24615509
N-naphthalen-2-yl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24638965
N-(2-ethylphenyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 37337471
3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 37067199
3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 24655585
N-(4-methyl-1,3-thiazol-2-yl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 16580086
N-(4-methylcyclohexyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 42999177
N-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 42547246
N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 55345807
N-[2-(4-fluorophenyl)ethyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24635673
N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 25330750

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide?
The IUPAC name of 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide (CID 32737011) is 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide.
What is the SMILES notation for 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide?
The canonical SMILES for 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide is CCCCn1c(CCC(=O)Nc2cccc(CC)c2)nc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide?
The InChIKey is GPOZTWGIXRKZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-3-5-17-30-24-12-11-22(34(32,33)29-15-6-7-16-29)19-23(24)28-25(30)13-14-26(31)27-21-10-8-9-20(4-2)18-21/h8-12,18-19H,3-7,13-17H2,1-2H3,(H,27,31).
What are the key properties of 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide?
3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide has a molecular weight of 482.65 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(3-ethylphenyl)propanamide is sourced from PubChem (CID 32737011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).