N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide

C23H30N2O2S — CID 97235885

IUPACN-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1
InChIInChI=1S/C23H30N2O2S/c1-16-6-8-17(9-7-16)19-12-15-28-22(19)23(27)24-18-10-13-25(14-11-18)20-4-2-3-5-21(20)26/h6-9,12,15,18,20-21,26H,2-5,10-11,13-14H2,1H3,(H,24,27)/t20-,21+/m1/s1
InChIKeyZDSSODIEHMEESA-RTWAWAEBSA-N
MW398.57 g/mol
LogP4.22
Rot. Bonds4

About N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 97235885) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID97235885
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC NameN-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1
InChIInChI=1S/C23H30N2O2S/c1-16-6-8-17(9-7-16)19-12-15-28-22(19)23(27)24-18-10-13-25(14-11-18)20-4-2-3-5-21(20)26/h6-9,12,15,18,20-21,26H,2-5,10-11,13-14H2,1H3,(H,24,27)/t20-,21+/m1/s1
InChIKeyZDSSODIEHMEESA-RTWAWAEBSA-N
XLogP4.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229187
N-[(4R)-1-methyl-2-oxopiperidin-4-yl]-3-phenylthiophene-2-carboxamide
CID 99778789
3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 51206987
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55805558
3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 47114392
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210
N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027524
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 86937525
N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119500045
trans-(1S,2S)-2-[4-(4-methylphenyl)piperidin-1-yl]cyclohexan-1-ol
CID 132850025
N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
CID 30768194
3-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 27677053

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 97235885) is N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1.
What is the InChIKey of N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is ZDSSODIEHMEESA-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-16-6-8-17(9-7-16)19-12-15-28-22(19)23(27)24-18-10-13-25(14-11-18)20-4-2-3-5-21(20)26/h6-9,12,15,18,20-21,26H,2-5,10-11,13-14H2,1H3,(H,24,27)/t20-,21+/m1/s1.
What are the key properties of N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 398.57 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 97235885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).