cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide

C19H24N2O2S — CID 92610648

IUPACcis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
SMILESCO[C@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccsc2)c2cccnc2)C1
InChIInChI=1S/C19H24N2O2S/c1-23-17-6-2-4-15(11-17)19(22)21-18(10-14-7-9-24-13-14)16-5-3-8-20-12-16/h3,5,7-9,12-13,15,17-18H,2,4,6,10-11H2,1H3,(H,21,22)/t15-,17+,18+/m1/s1
InChIKeyHJYQXVHSEMSYNN-NJAFHUGGSA-N
MW344.48 g/mol
LogP3.75
Rot. Bonds6

About cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide

cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide (PubChem CID 92610648) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
PubChem CID92610648
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Namecis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
SMILESCO[C@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccsc2)c2cccnc2)C1
InChIInChI=1S/C19H24N2O2S/c1-23-17-6-2-4-15(11-17)19(22)21-18(10-14-7-9-24-13-14)16-5-3-8-20-12-16/h3,5,7-9,12-13,15,17-18H,2,4,6,10-11H2,1H3,(H,21,22)/t15-,17+,18+/m1/s1
InChIKeyHJYQXVHSEMSYNN-NJAFHUGGSA-N
XLogP3.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 124803175
N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide
CID 92570534
N-methyl-1-pyridin-3-yl-2-thiophen-3-ylethanamine
CID 61077665
2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide
CID 92570518
2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
CID 110222101
4-methoxy-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 110222105
5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide
CID 110222100
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
4-(pyridin-3-ylmethoxy)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide
CID 126426003
3-amino-N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]cyclohexane-1-carboxamide
CID 119765075
4-methoxy-N-[(1R)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]cyclohexane-1-carboxamide
CID 136676381
(1-pyridin-3-yl-3-thiophen-3-ylpropyl)hydrazine
CID 105196206

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide (CID 92610648) is cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide is CO[C@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccsc2)c2cccnc2)C1.
What is the InChIKey of cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is HJYQXVHSEMSYNN-NJAFHUGGSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-23-17-6-2-4-15(11-17)19(22)21-18(10-14-7-9-24-13-14)16-5-3-8-20-12-16/h3,5,7-9,12-13,15,17-18H,2,4,6,10-11H2,1H3,(H,21,22)/t15-,17+,18+/m1/s1.
What are the key properties of cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide?
cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 92610648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).