3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide

C17H25N3O3S — CID 119797379

IUPAC3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC(N)C2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H25N3O3S/c1-11-5-6-15(10-16(11)24(22,23)20-14-7-8-14)19-17(21)12-3-2-4-13(18)9-12/h5-6,10,12-14,20H,2-4,7-9,18H2,1H3,(H,19,21)
InChIKeyXXOZQKTYTDNJSE-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.89
Rot. Bonds5

About 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide

3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide (PubChem CID 119797379) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide
PubChem CID119797379
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC(N)C2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H25N3O3S/c1-11-5-6-15(10-16(11)24(22,23)20-14-7-8-14)19-17(21)12-3-2-4-13(18)9-12/h5-6,10,12-14,20H,2-4,7-9,18H2,1H3,(H,19,21)
InChIKeyXXOZQKTYTDNJSE-UHFFFAOYSA-N
XLogP1.89
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
CID 120634945
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119798958
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730951
3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119797376
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119331403
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119797364
2-(cyclopropylmethylamino)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119797391

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide (CID 119797379) is 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCCC(N)C2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide?
The InChIKey is XXOZQKTYTDNJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-11-5-6-15(10-16(11)24(22,23)20-14-7-8-14)19-17(21)12-3-2-4-13(18)9-12/h5-6,10,12-14,20H,2-4,7-9,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide?
3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119797379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).