N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide

C18H26N2O2S — CID 97095251

IUPACN-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide
SMILESCCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)CC)c2)C1
InChIInChI=1S/C18H26N2O2S/c1-4-17(21)19-14-8-6-7-13(11-14)18(22)20(3)15-9-10-16(12-15)23-5-2/h6-8,11,15-16H,4-5,9-10,12H2,1-3H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyKAADYRWHTQQWPS-HZPDHXFCSA-N
MW334.49 g/mol
LogP3.78
Rot. Bonds6

About N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide

N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide (PubChem CID 97095251) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide
PubChem CID97095251
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide
SMILESCCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)CC)c2)C1
InChIInChI=1S/C18H26N2O2S/c1-4-17(21)19-14-8-6-7-13(11-14)18(22)20(3)15-9-10-16(12-15)23-5-2/h6-8,11,15-16H,4-5,9-10,12H2,1-3H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyKAADYRWHTQQWPS-HZPDHXFCSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187152
4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119187147
3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
CID 47415616
3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 75379365
N-(3-ethylsulfanylcyclopentyl)-N,6-dimethylpyridine-3-carboxamide
CID 71993569
N-cyclopropyl-3-hydrazinyl-N-methylbenzamide
CID 91201306
3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide
CID 95898425
N-(3-acetylphenyl)propanamide
CID 903063
N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758
3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride
CID 120638288

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide?
The IUPAC name of N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide (CID 97095251) is N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide?
The canonical SMILES for N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide is CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)CC)c2)C1.
What is the InChIKey of N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide?
The InChIKey is KAADYRWHTQQWPS-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-4-17(21)19-14-8-6-7-13(11-14)18(22)20(3)15-9-10-16(12-15)23-5-2/h6-8,11,15-16H,4-5,9-10,12H2,1-3H3,(H,19,21)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide?
N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide has a molecular weight of 334.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide is sourced from PubChem (CID 97095251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).