3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide

C24H27N3O2S — CID 71846698

IUPAC3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide
SMILESCn1ccnc1SCc1cccc(C(=O)NC2CCCC2OCc2ccccc2)c1
InChIInChI=1S/C24H27N3O2S/c1-27-14-13-25-24(27)30-17-19-9-5-10-20(15-19)23(28)26-21-11-6-12-22(21)29-16-18-7-3-2-4-8-18/h2-5,7-10,13-15,21-22H,6,11-12,16-17H2,1H3,(H,26,28)
InChIKeyPDKXAWYBSXPKNE-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.58
Rot. Bonds8

About 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide

3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide (PubChem CID 71846698) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide
PubChem CID71846698
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide
SMILESCn1ccnc1SCc1cccc(C(=O)NC2CCCC2OCc2ccccc2)c1
InChIInChI=1S/C24H27N3O2S/c1-27-14-13-25-24(27)30-17-19-9-5-10-20(15-19)23(28)26-21-11-6-12-22(21)29-16-18-7-3-2-4-8-18/h2-5,7-10,13-15,21-22H,6,11-12,16-17H2,1H3,(H,26,28)
InChIKeyPDKXAWYBSXPKNE-UHFFFAOYSA-N
XLogP4.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylethyl)benzamide
CID 39082665
tert-butyl (3S,4R)-4-methyl-3-[[3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoyl]amino]piperidine-1-carboxylate
CID 99787982
2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 39074526
2-(ethylamino)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]pyrimidine-5-carboxamide
CID 74230622
N-benzyl-N-methyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzamide
CID 39074569
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 39074574
1-methyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70782413
2-bromo-4-methyl-N-[(1S,2S)-2-phenylmethoxycyclopentyl]-1,3-thiazole-5-carboxamide
CID 71148032
5-[(3-carboxyphenyl)methoxy]-1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]pyrazole-3-carboxylic acid
CID 21062936
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 39074479
1-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-5-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid
CID 58646681

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide?
The IUPAC name of 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide (CID 71846698) is 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide is Cn1ccnc1SCc1cccc(C(=O)NC2CCCC2OCc2ccccc2)c1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide?
The InChIKey is PDKXAWYBSXPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-27-14-13-25-24(27)30-17-19-9-5-10-20(15-19)23(28)26-21-11-6-12-22(21)29-16-18-7-3-2-4-8-18/h2-5,7-10,13-15,21-22H,6,11-12,16-17H2,1H3,(H,26,28).
What are the key properties of 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide?
3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide has a molecular weight of 421.57 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylmethoxycyclopentyl)benzamide is sourced from PubChem (CID 71846698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).