5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide

C15H20N4O3S2 — CID 167972167

IUPAC5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C15H20N4O3S2/c1-10-14(7-13(23-10)15(16)20)24(21,22)19-5-3-11(4-6-19)12-8-17-18(2)9-12/h7-9,11H,3-6H2,1-2H3,(H2,16,20)
InChIKeyHZPWZDPWKAIHCJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.46
Rot. Bonds4

About 5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide

5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 167972167) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID167972167
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C15H20N4O3S2/c1-10-14(7-13(23-10)15(16)20)24(21,22)19-5-3-11(4-6-19)12-8-17-18(2)9-12/h7-9,11H,3-6H2,1-2H3,(H2,16,20)
InChIKeyHZPWZDPWKAIHCJ-UHFFFAOYSA-N
XLogP1.46
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methoxy-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzoate
CID 166248648
3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 166332894
4-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 107215064
4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63973091
4-(2-carbamoylpyrrolidin-1-yl)sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63328505
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 166205545
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 115965130
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 64571052
5-methyl-4-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63329080
5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile
CID 136512716
4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502898

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide (CID 167972167) is 5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide is Cc1sc(C(N)=O)cc1S(=O)(=O)N1CCC(c2cnn(C)c2)CC1.
What is the InChIKey of 5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is HZPWZDPWKAIHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-10-14(7-13(23-10)15(16)20)24(21,22)19-5-3-11(4-6-19)12-8-17-18(2)9-12/h7-9,11H,3-6H2,1-2H3,(H2,16,20).
What are the key properties of 5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide?
5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 167972167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).