2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide

C19H28N2O4S — CID 2675099

IUPAC2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C19H28N2O4S/c1-14-3-6-16(7-4-14)20-19(22)18-13-17(8-5-15(18)2)26(23,24)21-9-11-25-12-10-21/h5,8,13-14,16H,3-4,6-7,9-12H2,1-2H3,(H,20,22)
InChIKeyHJQMITCFQOUOKL-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide

2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2675099) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2675099
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C19H28N2O4S/c1-14-3-6-16(7-4-14)20-19(22)18-13-17(8-5-15(18)2)26(23,24)21-9-11-25-12-10-21/h5,8,13-14,16H,3-4,6-7,9-12H2,1-2H3,(H,20,22)
InChIKeyHJQMITCFQOUOKL-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4546258
N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 32915727
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 6471941
2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 167930314
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677581
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 7376460
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide (CID 2675099) is 2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HJQMITCFQOUOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14-3-6-16(7-4-14)20-19(22)18-13-17(8-5-15(18)2)26(23,24)21-9-11-25-12-10-21/h5,8,13-14,16H,3-4,6-7,9-12H2,1-2H3,(H,20,22).
What are the key properties of 2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide?
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 380.51 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2675099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).