4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

C19H28N2O4S — CID 4781235

IUPAC4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-26(23,24)17-7-5-16(6-8-17)18(22)20-15-19(9-3-2-4-10-19)21-11-13-25-14-12-21/h5-8H,2-4,9-15H2,1H3,(H,20,22)
InChIKeyRMMKNSFAIHHGCA-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.86
Rot. Bonds5

About 4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (PubChem CID 4781235) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
PubChem CID4781235
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-26(23,24)17-7-5-16(6-8-17)18(22)20-15-19(9-3-2-4-10-19)21-11-13-25-14-12-21/h5-8H,2-4,9-15H2,1H3,(H,20,22)
InChIKeyRMMKNSFAIHHGCA-UHFFFAOYSA-N
XLogP1.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (CID 4781235) is 4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is CS(=O)(=O)c1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1.
What is the InChIKey of 4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The InChIKey is RMMKNSFAIHHGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-26(23,24)17-7-5-16(6-8-17)18(22)20-15-19(9-3-2-4-10-19)21-11-13-25-14-12-21/h5-8H,2-4,9-15H2,1H3,(H,20,22).
What are the key properties of 4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide has a molecular weight of 380.51 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 4781235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).