N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide

C25H36N2O2S2 — CID 70803409

IUPACN-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(c2csc(C(C)(C)C)c2)C2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C25H36N2O2S2/c1-17-5-7-18(8-6-17)23(28)27(20-15-22(31-16-20)25(2,3)4)19-9-11-21(12-10-19)29-24-26-13-14-30-24/h13-19,21H,5-12H2,1-4H3
InChIKeyLMUPWLBELXBHQH-UHFFFAOYSA-N
MW460.71 g/mol
LogP7.05
Rot. Bonds5

About N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide

N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide (PubChem CID 70803409) has the molecular formula C25H36N2O2S2 and a molecular weight of 460.71 g/mol. Its IUPAC name is N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide
PubChem CID70803409
Molecular FormulaC25H36N2O2S2
Molecular Weight460.71 g/mol
Exact Mass460.22
IUPAC NameN-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(c2csc(C(C)(C)C)c2)C2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C25H36N2O2S2/c1-17-5-7-18(8-6-17)23(28)27(20-15-22(31-16-20)25(2,3)4)19-9-11-21(12-10-19)29-24-26-13-14-30-24/h13-19,21H,5-12H2,1-4H3
InChIKeyLMUPWLBELXBHQH-UHFFFAOYSA-N
XLogP7.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.71
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-3-[(4-methylcyclohexanecarbonyl)-[4-[(2-oxo-1H-pyrimidin-6-yl)oxy]cyclohexyl]amino]thiophene-2-carboxylic acid
CID 70803308
5-tert-butyl-3-[(4-methylcyclohexanecarbonyl)-(4-pyridin-3-yloxycyclohexyl)amino]thiophene-2-carboxylic acid
CID 70803293
5-tert-butyl-3-[[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 70803296
3-[[4-[(2,6-diethyl-4-pyridinyl)oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-(3-phenoxycyclobutyl)amino]thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-(N-(4-methylcyclohexanecarbonyl)-4-pyridin-2-yloxyanilino)thiophene-2-carboxylic acid;5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-(1,3-thiazol-2-yloxy)cyclohexyl]amino]thiophene-2-carboxylic acid
CID 160899962
3-[[4-[(2S,3S)-2-amino-3-methylpentanoyl]oxycyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-tert-butylthiophene-2-carboxylic acid
CID 71251538
5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-[(6-oxo-1H-pyrimidin-2-yl)oxy]cyclohexyl]amino]thiophene-2-carboxylic acid
CID 58113904
N-[5-(4,4-dimethylcyclohexen-1-yl)thiophen-3-yl]-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 152782063
3-[[4-[[4-[(dimethylamino)methyl]-2-pyridinyl]oxy]cyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid
CID 50906584
methyl 5-tert-butyl-3-[[4-[(3S,4R)-4-hydroxyoxolan-3-yl]oxycyclohexyl]-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
CID 70803322
5-tert-butyl-3-[(4-methylcyclohexanecarbonyl)-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxycyclohexyl]amino]thiophene-2-carboxylic acid
CID 71251528
5-tert-butyl-3-[cyclohexanecarbonyl-(4-quinolin-4-yloxycyclohexyl)amino]thiophene-2-carboxylic acid
CID 70805087
5-tert-butyl-3-[(4-methylcyclohexanecarbonyl)-[4-(triazol-1-yl)cyclohexyl]amino]thiophene-2-carboxylic acid
CID 66613194

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide (CID 70803409) is N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide is CC1CCC(C(=O)N(c2csc(C(C)(C)C)c2)C2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide?
The InChIKey is LMUPWLBELXBHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2S2/c1-17-5-7-18(8-6-17)23(28)27(20-15-22(31-16-20)25(2,3)4)19-9-11-21(12-10-19)29-24-26-13-14-30-24/h13-19,21H,5-12H2,1-4H3.
What are the key properties of N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide?
N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide has a molecular weight of 460.71 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butylthiophen-3-yl)-4-methyl-N-[4-(1,3-thiazol-2-yloxy)cyclohexyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 70803409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).