N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide

C16H20N4O4S — CID 74237959

IUPACN-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
SMILESCS(=O)(=O)N1CCOC(CNC(=O)c2cccc(-c3cn[nH]c3)c2)C1
InChIInChI=1S/C16H20N4O4S/c1-25(22,23)20-5-6-24-15(11-20)10-17-16(21)13-4-2-3-12(7-13)14-8-18-19-9-14/h2-4,7-9,15H,5-6,10-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyUGTXUQZJFJINHQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.47
Rot. Bonds5

About N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide

N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide (PubChem CID 74237959) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
PubChem CID74237959
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
SMILESCS(=O)(=O)N1CCOC(CNC(=O)c2cccc(-c3cn[nH]c3)c2)C1
InChIInChI=1S/C16H20N4O4S/c1-25(22,23)20-5-6-24-15(11-20)10-17-16(21)13-4-2-3-12(7-13)14-8-18-19-9-14/h2-4,7-9,15H,5-6,10-11H2,1H3,(H,17,21)(H,18,19)
InChIKeyUGTXUQZJFJINHQ-UHFFFAOYSA-N
XLogP0.47
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 99938799
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
CID 125161188
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
CID 70785399
1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 72916049
2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 74250803
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97146965
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-pyridin-4-ylbenzamide
CID 118787590
N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide
CID 110486658
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide (CID 74237959) is N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide is CS(=O)(=O)N1CCOC(CNC(=O)c2cccc(-c3cn[nH]c3)c2)C1.
What is the InChIKey of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide?
The InChIKey is UGTXUQZJFJINHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-25(22,23)20-5-6-24-15(11-20)10-17-16(21)13-4-2-3-12(7-13)14-8-18-19-9-14/h2-4,7-9,15H,5-6,10-11H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide?
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide has a molecular weight of 364.43 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 74237959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).