2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

C20H30ClN3O4S — CID 55348790

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H30ClN3O4S/c1-16(23-29(26,27)18-7-5-17(21)6-8-18)19(25)22-15-20(9-3-2-4-10-20)24-11-13-28-14-12-24/h5-8,16,23H,2-4,9-15H2,1H3,(H,22,25)
InChIKeyJAXMDKQPXXVJMB-UHFFFAOYSA-N
MW444.00 g/mol
LogP2.16
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (PubChem CID 55348790) has the molecular formula C20H30ClN3O4S and a molecular weight of 444.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
PubChem CID55348790
Molecular FormulaC20H30ClN3O4S
Molecular Weight444.00 g/mol
Exact Mass443.16
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H30ClN3O4S/c1-16(23-29(26,27)18-7-5-17(21)6-8-18)19(25)22-15-20(9-3-2-4-10-20)24-11-13-28-14-12-24/h5-8,16,23H,2-4,9-15H2,1H3,(H,22,25)
InChIKeyJAXMDKQPXXVJMB-UHFFFAOYSA-N
XLogP2.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide with MolForge

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Related Compounds

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 43005178
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 55348116
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596
N-[(2R)-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 31328196
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346
(2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide
CID 37259849
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 8502045
(2S)-2-(2-methoxyphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 34948785

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (CID 55348790) is 2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The InChIKey is JAXMDKQPXXVJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O4S/c1-16(23-29(26,27)18-7-5-17(21)6-8-18)19(25)22-15-20(9-3-2-4-10-20)24-11-13-28-14-12-24/h5-8,16,23H,2-4,9-15H2,1H3,(H,22,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide has a molecular weight of 444.00 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 55348790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).