3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide

C16H23N3O3S — CID 119711249

IUPAC3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1NS(C)(=O)=O
InChIInChI=1S/C16H23N3O3S/c1-9-3-6-12(8-13(9)19-23(2,21)22)18-16(20)14-10-4-5-11(7-10)15(14)17/h3,6,8,10-11,14-15,19H,4-5,7,17H2,1-2H3,(H,18,20)
InChIKeyGJVQFVGOIXMCIP-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.68
Rot. Bonds4

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

3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119711249) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119711249
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1NS(C)(=O)=O
InChIInChI=1S/C16H23N3O3S/c1-9-3-6-12(8-13(9)19-23(2,21)22)18-16(20)14-10-4-5-11(7-10)15(14)17/h3,6,8,10-11,14-15,19H,4-5,7,17H2,1-2H3,(H,18,20)
InChIKeyGJVQFVGOIXMCIP-UHFFFAOYSA-N
XLogP1.68
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119797376
2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974815
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119780316
3-amino-N-[3-(methylsulfonylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756848
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
(2S,4S)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620801
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119711249) is 3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1NS(C)(=O)=O.
What is the InChIKey of 3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GJVQFVGOIXMCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-9-3-6-12(8-13(9)19-23(2,21)22)18-16(20)14-10-4-5-11(7-10)15(14)17/h3,6,8,10-11,14-15,19H,4-5,7,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119711249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).