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

C16H20N4O4S — CID 74250803

IUPAC2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
SMILESCS(=O)(=O)N1CCOC(CNC(=O)c2ccccc2-c2ncc[nH]2)C1
InChIInChI=1S/C16H20N4O4S/c1-25(22,23)20-8-9-24-12(11-20)10-19-16(21)14-5-3-2-4-13(14)15-17-6-7-18-15/h2-7,12H,8-11H2,1H3,(H,17,18)(H,19,21)
InChIKeyUJLMDNWBWPDSIO-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.47
Rot. Bonds5

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

2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide (PubChem CID 74250803) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
PubChem CID74250803
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
SMILESCS(=O)(=O)N1CCOC(CNC(=O)c2ccccc2-c2ncc[nH]2)C1
InChIInChI=1S/C16H20N4O4S/c1-25(22,23)20-8-9-24-12(11-20)10-19-16(21)14-5-3-2-4-13(14)15-17-6-7-18-15/h2-7,12H,8-11H2,1H3,(H,17,18)(H,19,21)
InChIKeyUJLMDNWBWPDSIO-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-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97146965
8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
CID 70785399
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
CID 74237959
2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537
[2-[(4-methylsulfonylmorpholin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134709868
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide
CID 124758885
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880
6-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 74230815
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 99938799

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide (CID 74250803) is 2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide is CS(=O)(=O)N1CCOC(CNC(=O)c2ccccc2-c2ncc[nH]2)C1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide?
The InChIKey is UJLMDNWBWPDSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-25(22,23)20-8-9-24-12(11-20)10-19-16(21)14-5-3-2-4-13(14)15-17-6-7-18-15/h2-7,12H,8-11H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide?
2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]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 2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 74250803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).