1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide

C17H22N4O3S2 — CID 53142683

IUPAC1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(C)c2)c(S(=O)(=O)N2CCSCC2)n1
InChIInChI=1S/C17H22N4O3S2/c1-3-20-12-15(16(22)18-14-6-4-5-13(2)11-14)17(19-20)26(23,24)21-7-9-25-10-8-21/h4-6,11-12H,3,7-10H2,1-2H3,(H,18,22)
InChIKeyTXHOLFQWZZPMSZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.20
Rot. Bonds5

About 1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide

1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide (PubChem CID 53142683) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
PubChem CID53142683
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC Name1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(C)c2)c(S(=O)(=O)N2CCSCC2)n1
InChIInChI=1S/C17H22N4O3S2/c1-3-20-12-15(16(22)18-14-6-4-5-13(2)11-14)17(19-20)26(23,24)21-7-9-25-10-8-21/h4-6,11-12H,3,7-10H2,1-2H3,(H,18,22)
InChIKeyTXHOLFQWZZPMSZ-UHFFFAOYSA-N
XLogP2.20
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 83273764
3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 53143017
1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142656
3-(azepan-1-ylsulfonyl)-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 53143029
1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide
CID 53142973
3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide
CID 53142985
methyl 3-[[3-(azepan-1-ylsulfonyl)-1-methylpyrazole-4-carbonyl]amino]benzoate
CID 53142997
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
3-[3-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]phenyl]benzoic acid
CID 167980507
N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172092

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide (CID 53142683) is 1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cccc(C)c2)c(S(=O)(=O)N2CCSCC2)n1.
What is the InChIKey of 1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
The InChIKey is TXHOLFQWZZPMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-3-20-12-15(16(22)18-14-6-4-5-13(2)11-14)17(19-20)26(23,24)21-7-9-25-10-8-21/h4-6,11-12H,3,7-10H2,1-2H3,(H,18,22).
What are the key properties of 1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 53142683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).