1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride

C18H28ClN3O5S — CID 119264839

IUPAC1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2(N)CCCCC2)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C18H27N3O5S.ClH/c1-25-15-6-5-14(20-17(22)18(19)7-3-2-4-8-18)13-16(15)27(23,24)21-9-11-26-12-10-21;/h5-6,13H,2-4,7-12,19H2,1H3,(H,20,22);1H
InChIKeyYHOHMUQQNKGWDC-UHFFFAOYSA-N
MW433.96 g/mol
LogP1.74
Rot. Bonds5

About 1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119264839) has the molecular formula C18H28ClN3O5S and a molecular weight of 433.96 g/mol. Its IUPAC name is 1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119264839
Molecular FormulaC18H28ClN3O5S
Molecular Weight433.96 g/mol
Exact Mass433.14
IUPAC Name1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2(N)CCCCC2)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C18H27N3O5S.ClH/c1-25-15-6-5-14(20-17(22)18(19)7-3-2-4-8-18)13-16(15)27(23,24)21-9-11-26-12-10-21;/h5-6,13H,2-4,7-12,19H2,1H3,(H,20,22);1H
InChIKeyYHOHMUQQNKGWDC-UHFFFAOYSA-N
XLogP1.74
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119265809
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CID 39904648
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119677515
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide
CID 119331491
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
(2R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 8800265
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119264823
3-cyclohexyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43008044

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119264839) is 1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride is COc1ccc(NC(=O)C2(N)CCCCC2)cc1S(=O)(=O)N1CCOCC1.Cl.
What is the InChIKey of 1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YHOHMUQQNKGWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S.ClH/c1-25-15-6-5-14(20-17(22)18(19)7-3-2-4-8-18)13-16(15)27(23,24)21-9-11-26-12-10-21;/h5-6,13H,2-4,7-12,19H2,1H3,(H,20,22);1H.
What are the key properties of 1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 433.96 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119264839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).