(2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide

C17H24N4O2S — CID 124609983

IUPAC(2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)N1CCO[C@H](c2cccs2)C1
InChIInChI=1S/C17H24N4O2S/c1-12-14(13(2)20(3)19-12)6-7-18-17(22)21-8-9-23-15(11-21)16-5-4-10-24-16/h4-5,10,15H,6-9,11H2,1-3H3,(H,18,22)/t15-/m0/s1
InChIKeySJIJSPCOUSFOSK-HNNXBMFYSA-N
MW348.47 g/mol
LogP2.42
Rot. Bonds4

About (2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide

(2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide (PubChem CID 124609983) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is (2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
PubChem CID124609983
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name(2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)N1CCO[C@H](c2cccs2)C1
InChIInChI=1S/C17H24N4O2S/c1-12-14(13(2)20(3)19-12)6-7-18-17(22)21-8-9-23-15(11-21)16-5-4-10-24-16/h4-5,10,15H,6-9,11H2,1-3H3,(H,18,22)/t15-/m0/s1
InChIKeySJIJSPCOUSFOSK-HNNXBMFYSA-N
XLogP2.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylsulfinylethyl)-2-thiophen-2-ylmorpholine-4-carboxamide
CID 71918287
1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 134040069
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 71969624
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 138056955
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide
CID 97068224
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 71894685
4-(cyclopropanecarbonyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 86802718
2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757336
2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315
(1R)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627266
(1S)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627265

Frequently Asked Questions

What is the IUPAC name of (2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide (CID 124609983) is (2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide is Cc1nn(C)c(C)c1CCNC(=O)N1CCO[C@H](c2cccs2)C1.
What is the InChIKey of (2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is SJIJSPCOUSFOSK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-14(13(2)20(3)19-12)6-7-18-17(22)21-8-9-23-15(11-21)16-5-4-10-24-16/h4-5,10,15H,6-9,11H2,1-3H3,(H,18,22)/t15-/m0/s1.
What are the key properties of (2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide?
(2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 124609983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).