N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C18H27N3O3S — CID 119591500

IUPACN-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESNCC(NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C1CCCCC1
InChIInChI=1S/C18H27N3O3S/c19-13-17(14-6-2-1-3-7-14)20-18(22)15-8-4-9-16(12-15)21-10-5-11-25(21,23)24/h4,8-9,12,14,17H,1-3,5-7,10-11,13,19H2,(H,20,22)
InChIKeyMENYDCHFCWQDSR-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.86
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 119591500) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID119591500
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESNCC(NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C1CCCCC1
InChIInChI=1S/C18H27N3O3S/c19-13-17(14-6-2-1-3-7-14)20-18(22)15-8-4-9-16(12-15)21-10-5-11-25(21,23)24/h4,8-9,12,14,17H,1-3,5-7,10-11,13,19H2,(H,20,22)
InChIKeyMENYDCHFCWQDSR-UHFFFAOYSA-N
XLogP1.86
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119620981
N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119478135
N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119478134
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
(2S,3S)-2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-3-methylpentanoic acid
CID 119194008
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide
CID 119428215
N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide
CID 119614861
N-(2-cyclohexylpyrazol-3-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51312508

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 119591500) is N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is NCC(NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is MENYDCHFCWQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c19-13-17(14-6-2-1-3-7-14)20-18(22)15-8-4-9-16(12-15)21-10-5-11-25(21,23)24/h4,8-9,12,14,17H,1-3,5-7,10-11,13,19H2,(H,20,22).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 365.50 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 119591500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).