N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C20H22N4O4S2 — CID 56552601

IUPACN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)n[nH]1
InChIInChI=1S/C20H22N4O4S2/c1-28-16-8-4-3-7-14(16)15-13-18(23-22-15)21-20(25)19-17(9-12-29-19)30(26,27)24-10-5-2-6-11-24/h3-4,7-9,12-13H,2,5-6,10-11H2,1H3,(H2,21,22,23,25)
InChIKeyKVEYJNOJELQDEA-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.57
Rot. Bonds6

About N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 56552601) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID56552601
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)n[nH]1
InChIInChI=1S/C20H22N4O4S2/c1-28-16-8-4-3-7-14(16)15-13-18(23-22-15)21-20(25)19-17(9-12-29-19)30(26,27)24-10-5-2-6-11-24/h3-4,7-9,12-13H,2,5-6,10-11H2,1H3,(H2,21,22,23,25)
InChIKeyKVEYJNOJELQDEA-UHFFFAOYSA-N
XLogP3.57
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-3-pyridinyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665715
3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 55495024
methyl N-[4-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 55804603
N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665731
2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 91954044
2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552729
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 7917108
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46486195
methyl 2-methyl-3-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate
CID 24684191
methyl 4-chloro-3-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate
CID 46808049
N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375353
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 56552601) is N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is COc1ccccc1-c1cc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)n[nH]1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is KVEYJNOJELQDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-28-16-8-4-3-7-14(16)15-13-18(23-22-15)21-20(25)19-17(9-12-29-19)30(26,27)24-10-5-2-6-11-24/h3-4,7-9,12-13H,2,5-6,10-11H2,1H3,(H2,21,22,23,25).
What are the key properties of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 56552601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).