N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C20H22N4O4S2 — CID 55789159

IUPACN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C20H22N4O4S2/c25-20(18-12-17(22-23-18)19-6-3-11-29-19)21-13-15-4-1-2-5-16(15)14-30(26,27)24-7-9-28-10-8-24/h1-6,11-12H,7-10,13-14H2,(H,21,25)(H,22,23)
InChIKeyKFWQUMRSADIQPR-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.23
Rot. Bonds7

About N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55789159) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55789159
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C20H22N4O4S2/c25-20(18-12-17(22-23-18)19-6-3-11-29-19)21-13-15-4-1-2-5-16(15)14-30(26,27)24-7-9-28-10-8-24/h1-6,11-12H,7-10,13-14H2,(H,21,25)(H,22,23)
InChIKeyKFWQUMRSADIQPR-UHFFFAOYSA-N
XLogP2.23
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 112834593
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55791101
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119275548
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24541809
3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 25404526
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 24541794
5-chloro-2-hydroxy-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 18120484

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55789159) is N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is KFWQUMRSADIQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c25-20(18-12-17(22-23-18)19-6-3-11-29-19)21-13-15-4-1-2-5-16(15)14-30(26,27)24-7-9-28-10-8-24/h1-6,11-12H,7-10,13-14H2,(H,21,25)(H,22,23).
What are the key properties of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55789159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).