N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide

C26H29N5O3S — CID 20887497

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
SMILESCCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H29N5O3S/c1-3-20-24(18-10-8-17(2)9-11-18)35(33,34)30-25(20)31-14-12-19(13-15-31)26(32)27-16-23-28-21-6-4-5-7-22(21)29-23/h4-11,19H,3,12-16H2,1-2H3,(H,27,32)(H,28,29)
InChIKeySOVUUONIBVADBC-UHFFFAOYSA-N
MW491.62 g/mol
LogP3.76
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide (PubChem CID 20887497) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
PubChem CID20887497
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
SMILESCCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H29N5O3S/c1-3-20-24(18-10-8-17(2)9-11-18)35(33,34)30-25(20)31-14-12-19(13-15-31)26(32)27-16-23-28-21-6-4-5-7-22(21)29-23/h4-11,19H,3,12-16H2,1-2H3,(H,27,32)(H,28,29)
InChIKeySOVUUONIBVADBC-UHFFFAOYSA-N
XLogP3.76
TPSA107.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 20887477
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20943242
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20943232
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 20887485
N-[3-(diethylamino)propyl]-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943229
1-(1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 4130439
[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20943263
[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20887471
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609448
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 7546016
N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943213

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide (CID 20887497) is N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide is CCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide?
The InChIKey is SOVUUONIBVADBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-3-20-24(18-10-8-17(2)9-11-18)35(33,34)30-25(20)31-14-12-19(13-15-31)26(32)27-16-23-28-21-6-4-5-7-22(21)29-23/h4-11,19H,3,12-16H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20887497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).