4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide

C22H34N2O4S — CID 9391433

IUPAC4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C22H34N2O4S/c1-22(2,3)19-8-6-18(7-9-19)21(25)23-16-17-4-10-20(11-5-17)29(26,27)24-12-14-28-15-13-24/h4-5,10-11,18-19H,6-9,12-16H2,1-3H3,(H,23,25)
InChIKeyGNGBNMVQEYLTEM-UHFFFAOYSA-N
MW422.59 g/mol
LogP3.18
Rot. Bonds5

About 4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide

4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 9391433) has the molecular formula C22H34N2O4S and a molecular weight of 422.59 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID9391433
Molecular FormulaC22H34N2O4S
Molecular Weight422.59 g/mol
Exact Mass422.22
IUPAC Name4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C22H34N2O4S/c1-22(2,3)19-8-6-18(7-9-19)21(25)23-16-17-4-10-20(11-5-17)29(26,27)24-12-14-28-15-13-24/h4-5,10-11,18-19H,6-9,12-16H2,1-3H3,(H,23,25)
InChIKeyGNGBNMVQEYLTEM-UHFFFAOYSA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 119271576
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 55856282
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861826
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861829
1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27890193
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861830
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 23961153
1-acetyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 108736634
1-(benzenesulfonyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 43058785
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 55634285

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide (CID 9391433) is 4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is GNGBNMVQEYLTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4S/c1-22(2,3)19-8-6-18(7-9-19)21(25)23-16-17-4-10-20(11-5-17)29(26,27)24-12-14-28-15-13-24/h4-5,10-11,18-19H,6-9,12-16H2,1-3H3,(H,23,25).
What are the key properties of 4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide?
4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 422.59 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 9391433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).