2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide

C20H30N2O4S — CID 44591253

IUPAC2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H30N2O4S/c1-15-7-8-16(21-19(23)17-6-4-5-9-20(17,2)3)14-18(15)27(24,25)22-10-12-26-13-11-22/h7-8,14,17H,4-6,9-13H2,1-3H3,(H,21,23)
InChIKeyFHAQNEGYMLAOHD-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.17
Rot. Bonds4

About 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide

2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide (PubChem CID 44591253) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide
PubChem CID44591253
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H30N2O4S/c1-15-7-8-16(21-19(23)17-6-4-5-9-20(17,2)3)14-18(15)27(24,25)22-10-12-26-13-11-22/h7-8,14,17H,4-6,9-13H2,1-3H3,(H,21,23)
InChIKeyFHAQNEGYMLAOHD-UHFFFAOYSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 7979090
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
(3R,7aR)-7a-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 31301530
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16544867
tert-butyl 3-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 24515330
N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179808
1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 50875261
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25434857
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide
CID 119263645
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]morpholine-3-carboxamide
CID 119675117

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide (CID 44591253) is 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCCCC2(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide?
The InChIKey is FHAQNEGYMLAOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-15-7-8-16(21-19(23)17-6-4-5-9-20(17,2)3)14-18(15)27(24,25)22-10-12-26-13-11-22/h7-8,14,17H,4-6,9-13H2,1-3H3,(H,21,23).
What are the key properties of 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide?
2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 44591253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).