N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide

C25H32N4O4S — CID 55344804

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC(c3nc4ccccc4[nH]3)C(C)C)CC2)cc1
InChIInChI=1S/C25H32N4O4S/c1-4-33-19-9-11-20(12-10-19)34(31,32)29-15-13-18(14-16-29)25(30)28-23(17(2)3)24-26-21-7-5-6-8-22(21)27-24/h5-12,17-18,23H,4,13-16H2,1-3H3,(H,26,27)(H,28,30)
InChIKeySLSYTUXHMARNNF-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.88
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55344804) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55344804
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC(c3nc4ccccc4[nH]3)C(C)C)CC2)cc1
InChIInChI=1S/C25H32N4O4S/c1-4-33-19-9-11-20(12-10-19)34(31,32)29-15-13-18(14-16-29)25(30)28-23(17(2)3)24-26-21-7-5-6-8-22(21)27-24/h5-12,17-18,23H,4,13-16H2,1-3H3,(H,26,27)(H,28,30)
InChIKeySLSYTUXHMARNNF-UHFFFAOYSA-N
XLogP3.88
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 25406790
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324
N-[(4-ethoxyphenyl)-phenylmethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46441707
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 51939861
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 94494989
N-[1-(4-bromophenyl)ethyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 43873101
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94042531
1-(4-ethoxyphenyl)sulfonyl-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-4-carboxamide
CID 96510008
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167682
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100654629
N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915615
1-(benzenesulfonyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167037

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 55344804) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC(c3nc4ccccc4[nH]3)C(C)C)CC2)cc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SLSYTUXHMARNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-4-33-19-9-11-20(12-10-19)34(31,32)29-15-13-18(14-16-29)25(30)28-23(17(2)3)24-26-21-7-5-6-8-22(21)27-24/h5-12,17-18,23H,4,13-16H2,1-3H3,(H,26,27)(H,28,30).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 484.62 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55344804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).