3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C18H26ClN3O3S — CID 119797376

IUPAC3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1S(=O)(=O)NC1CC1.Cl
InChIInChI=1S/C18H25N3O3S.ClH/c1-10-2-5-14(9-15(10)25(23,24)21-13-6-7-13)20-18(22)16-11-3-4-12(8-11)17(16)19;/h2,5,9,11-13,16-17,21H,3-4,6-8,19H2,1H3,(H,20,22);1H
InChIKeyKNNBGAAOWMWPFA-UHFFFAOYSA-N
MW399.94 g/mol
LogP2.17
Rot. Bonds5

About 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119797376) has the molecular formula C18H26ClN3O3S and a molecular weight of 399.94 g/mol. Its IUPAC name is 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119797376
Molecular FormulaC18H26ClN3O3S
Molecular Weight399.94 g/mol
Exact Mass399.14
IUPAC Name3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1S(=O)(=O)NC1CC1.Cl
InChIInChI=1S/C18H25N3O3S.ClH/c1-10-2-5-14(9-15(10)25(23,24)21-13-6-7-13)20-18(22)16-11-3-4-12(8-11)17(16)19;/h2,5,9,11-13,16-17,21H,3-4,6-8,19H2,1H3,(H,20,22);1H
InChIKeyKNNBGAAOWMWPFA-UHFFFAOYSA-N
XLogP2.17
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.94
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119711249
3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide
CID 119797379
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119331403
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119797364
(2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
CID 120634945
3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119780316
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119797366
N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride
CID 119797372
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119797376) is 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1S(=O)(=O)NC1CC1.Cl.
What is the InChIKey of 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is KNNBGAAOWMWPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S.ClH/c1-10-2-5-14(9-15(10)25(23,24)21-13-6-7-13)20-18(22)16-11-3-4-12(8-11)17(16)19;/h2,5,9,11-13,16-17,21H,3-4,6-8,19H2,1H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 399.94 g/mol, XLogP of 2.17, 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]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119797376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).