3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H25N3O3S — CID 119821858

IUPAC3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCNS(=O)(=O)c1ccc(CNC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C17H25N3O3S/c1-2-20-24(22,23)14-7-3-11(4-8-14)10-19-17(21)15-12-5-6-13(9-12)16(15)18/h3-4,7-8,12-13,15-16,20H,2,5-6,9-10,18H2,1H3,(H,19,21)
InChIKeyYHXPCBJQYUWVRL-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.97
Rot. Bonds6

About 3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119821858) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119821858
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCNS(=O)(=O)c1ccc(CNC(=O)C2C3CCC(C3)C2N)cc1
InChIInChI=1S/C17H25N3O3S/c1-2-20-24(22,23)14-7-3-11(4-8-14)10-19-17(21)15-12-5-6-13(9-12)16(15)18/h3-4,7-8,12-13,15-16,20H,2,5-6,9-10,18H2,1H3,(H,19,21)
InChIKeyYHXPCBJQYUWVRL-UHFFFAOYSA-N
XLogP0.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
3-amino-N-[(4-methylsulfanylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119747894
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119821892
3-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119694814
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119689643
3-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119699212
3-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119701616
3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119745081
3-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119845461
N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119887003

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119821858) is 3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is CCNS(=O)(=O)c1ccc(CNC(=O)C2C3CCC(C3)C2N)cc1.
What is the InChIKey of 3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YHXPCBJQYUWVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-2-20-24(22,23)14-7-3-11(4-8-14)10-19-17(21)15-12-5-6-13(9-12)16(15)18/h3-4,7-8,12-13,15-16,20H,2,5-6,9-10,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119821858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).