1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide

C19H28N2O4S — CID 44591372

IUPAC1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H28N2O4S/c1-15-6-7-16(20-18(22)19(2)8-4-3-5-9-19)14-17(15)26(23,24)21-10-12-25-13-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,20,22)
InChIKeyKLRDRQKZOQEROV-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.92
Rot. Bonds4

About 1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide

1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide (PubChem CID 44591372) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide
PubChem CID44591372
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H28N2O4S/c1-15-6-7-16(20-18(22)19(2)8-4-3-5-9-19)14-17(15)26(23,24)21-10-12-25-13-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,20,22)
InChIKeyKLRDRQKZOQEROV-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
2,2-dimethyl-3-(2-methylprop-1-en-1-yl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]cyclopropanecarboxamide
CID 5298782
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
N-(4-Acetyl-phenyl)-4-methyl-3-(morpholine-4-sulfonyl)-benzamide
CID 1081950
N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1105149
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenylbutanamide
CID 1164488

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide (CID 44591372) is 1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2(C)CCCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide?
The InChIKey is KLRDRQKZOQEROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-15-6-7-16(20-18(22)19(2)8-4-3-5-9-19)14-17(15)26(23,24)21-10-12-25-13-11-21/h6-7,14H,3-5,8-13H2,1-2H3,(H,20,22).
What are the key properties of 1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide?
1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 44591372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).