2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide

C19H26N2O4S — CID 167930314

IUPAC2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCC1=CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CCC1
InChIInChI=1S/C19H26N2O4S/c1-14-4-3-5-16(12-14)20-19(22)18-13-17(7-6-15(18)2)26(23,24)21-8-10-25-11-9-21/h6-7,12-13,16H,3-5,8-11H2,1-2H3,(H,20,22)
InChIKeyQYSOPGHCNUYNGV-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.24
Rot. Bonds4

About 2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide

2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 167930314) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID167930314
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCC1=CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CCC1
InChIInChI=1S/C19H26N2O4S/c1-14-4-3-5-16(12-14)20-19(22)18-13-17(7-6-15(18)2)26(23,24)21-8-10-25-11-9-21/h6-7,12-13,16H,3-5,8-11H2,1-2H3,(H,20,22)
InChIKeyQYSOPGHCNUYNGV-UHFFFAOYSA-N
XLogP2.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702
2-methyl-5-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7379557
2-methyl-5-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2994738
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55573535
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 6471941
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 9050303
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 7376460

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 167930314) is 2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide is CC1=CC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CCC1.
What is the InChIKey of 2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QYSOPGHCNUYNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-14-4-3-5-16(12-14)20-19(22)18-13-17(7-6-15(18)2)26(23,24)21-8-10-25-11-9-21/h6-7,12-13,16H,3-5,8-11H2,1-2H3,(H,20,22).
What are the key properties of 2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 378.49 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 167930314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).