1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride

C17H26ClN3O4S — CID 119277802

IUPAC1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-24-15-8-7-13(25(22,23)20-12-5-6-12)11-14(15)19-16(21)17(18)9-3-2-4-10-17;/h7-8,11-12,20H,2-6,9-10,18H2,1H3,(H,19,21);1H
InChIKeySSSQETBCMIRQPG-UHFFFAOYSA-N
MW403.93 g/mol
LogP2.16
Rot. Bonds6

About 1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119277802) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is 1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119277802
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC Name1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-24-15-8-7-13(25(22,23)20-12-5-6-12)11-14(15)19-16(21)17(18)9-3-2-4-10-17;/h7-8,11-12,20H,2-6,9-10,18H2,1H3,(H,19,21);1H
InChIKeySSSQETBCMIRQPG-UHFFFAOYSA-N
XLogP2.16
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide
CID 119277803
4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride
CID 120921031
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide
CID 119331491
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619738
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 119797467
N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 39998729
1-amino-N-(2-methoxy-5-nitrophenyl)cyclopentane-1-carboxamide
CID 60867927
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119277802) is 1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is SSSQETBCMIRQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S.ClH/c1-24-15-8-7-13(25(22,23)20-12-5-6-12)11-14(15)19-16(21)17(18)9-3-2-4-10-17;/h7-8,11-12,20H,2-6,9-10,18H2,1H3,(H,19,21);1H.
What are the key properties of 1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 403.93 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119277802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).