2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide

C26H32N4O2S — CID 1441005

IUPAC2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C26H32N4O2S/c1-4-20-8-7-9-21(13-20)27-24(31)17-33-26-28-22-10-5-6-11-23(22)30(26)16-25(32)29-14-18(2)12-19(3)15-29/h5-11,13,18-19H,4,12,14-17H2,1-3H3,(H,27,31)/t18-,19-/m0/s1
InChIKeyUZNDKYFTGAGXHC-OALUTQOASA-N
MW464.64 g/mol
LogP4.83
Rot. Bonds7

About 2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide

2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide (PubChem CID 1441005) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is 2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide
PubChem CID1441005
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C26H32N4O2S/c1-4-20-8-7-9-21(13-20)27-24(31)17-33-26-28-22-10-5-6-11-23(22)30(26)16-25(32)29-14-18(2)12-19(3)15-29/h5-11,13,18-19H,4,12,14-17H2,1-3H3,(H,27,31)/t18-,19-/m0/s1
InChIKeyUZNDKYFTGAGXHC-OALUTQOASA-N
XLogP4.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-diethylphenyl)-2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide
CID 1440840
2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 3224778
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-ethylphenyl)acetamide
CID 5134658
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]ethanone
CID 1440597
2-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]sulfanyl-N-(3-ethylphenyl)acetamide
CID 95093231
N-(3,4-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171467
N-(2,4-dimethylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3224679
2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46347596
2-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 1440636
N-cyclopropyl-2-[2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3229854
2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 46921644

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide (CID 1441005) is 2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2C[C@@H](C)C[C@H](C)C2)c1.
What is the InChIKey of 2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide?
The InChIKey is UZNDKYFTGAGXHC-OALUTQOASA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-4-20-8-7-9-21(13-20)27-24(31)17-33-26-28-22-10-5-6-11-23(22)30(26)16-25(32)29-14-18(2)12-19(3)15-29/h5-11,13,18-19H,4,12,14-17H2,1-3H3,(H,27,31)/t18-,19-/m0/s1.
What are the key properties of 2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide?
2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide has a molecular weight of 464.64 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 1441005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).