N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide

C17H22N4O4S2 — CID 53142624

IUPACN-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C)nc2S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C17H22N4O4S2/c1-20-12-15(16(22)18-11-13-3-5-14(25-2)6-4-13)17(19-20)27(23,24)21-7-9-26-10-8-21/h3-6,12H,7-11H2,1-2H3,(H,18,22)
InChIKeySTVLKYPSFMAFTM-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.10
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide (PubChem CID 53142624) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
PubChem CID53142624
Molecular FormulaC17H22N4O4S2
Molecular Weight410.52 g/mol
Exact Mass410.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C)nc2S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C17H22N4O4S2/c1-20-12-15(16(22)18-11-13-3-5-14(25-2)6-4-13)17(19-20)27(23,24)21-7-9-26-10-8-21/h3-6,12H,7-11H2,1-2H3,(H,18,22)
InChIKeySTVLKYPSFMAFTM-UHFFFAOYSA-N
XLogP1.10
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142623
1-ethyl-N-(pyridin-4-ylmethyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142656
N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 53142858
3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 98912864
N-[(4-methoxyphenyl)methyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 712048
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 146501058
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111833204
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205292
4-chloro-N-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7959660
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide (CID 53142624) is N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide is COc1ccc(CNC(=O)c2cn(C)nc2S(=O)(=O)N2CCSCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
The InChIKey is STVLKYPSFMAFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-20-12-15(16(22)18-11-13-3-5-14(25-2)6-4-13)17(19-20)27(23,24)21-7-9-26-10-8-21/h3-6,12H,7-11H2,1-2H3,(H,18,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-methyl-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 53142624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).