N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C22H34N2O5S — CID 55582575

IUPACN-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2C(C)(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H34N2O5S/c1-22(2,3)17-7-5-6-8-18(17)23-21(25)16-9-10-19(28-4)20(15-16)30(26,27)24-11-13-29-14-12-24/h9-10,15,17-18H,5-8,11-14H2,1-4H3,(H,23,25)
InChIKeyOGWHSNPSPALTLR-UHFFFAOYSA-N
MW438.59 g/mol
LogP3.05
Rot. Bonds5

About N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55582575) has the molecular formula C22H34N2O5S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55582575
Molecular FormulaC22H34N2O5S
Molecular Weight438.59 g/mol
Exact Mass438.22
IUPAC NameN-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2C(C)(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H34N2O5S/c1-22(2,3)17-7-5-6-8-18(17)23-21(25)16-9-10-19(28-4)20(15-16)30(26,27)24-11-13-29-14-12-24/h9-10,15,17-18H,5-8,11-14H2,1-4H3,(H,23,25)
InChIKeyOGWHSNPSPALTLR-UHFFFAOYSA-N
XLogP3.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 24982903
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 9296611
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 95285624
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 11919996
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 55582575) is N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)NC2CCCCC2C(C)(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OGWHSNPSPALTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O5S/c1-22(2,3)17-7-5-6-8-18(17)23-21(25)16-9-10-19(28-4)20(15-16)30(26,27)24-11-13-29-14-12-24/h9-10,15,17-18H,5-8,11-14H2,1-4H3,(H,23,25).
What are the key properties of N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 438.59 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55582575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).