3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H28N4O3S — CID 119864405

IUPAC3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3C4CCC(C4)C3N)c2)CC1
InChIInChI=1S/C19H28N4O3S/c1-22-7-9-23(10-8-22)27(25,26)16-4-2-3-15(12-16)21-19(24)17-13-5-6-14(11-13)18(17)20/h2-4,12-14,17-18H,5-11,20H2,1H3,(H,21,24)
InChIKeyUCECSQBGDZLEPN-UHFFFAOYSA-N
MW392.53 g/mol
LogP0.93
Rot. Bonds4

About 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119864405) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119864405
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3C4CCC(C4)C3N)c2)CC1
InChIInChI=1S/C19H28N4O3S/c1-22-7-9-23(10-8-22)27(25,26)16-4-2-3-15(12-16)21-19(24)17-13-5-6-14(11-13)18(17)20/h2-4,12-14,17-18H,5-11,20H2,1H3,(H,21,24)
InChIKeyUCECSQBGDZLEPN-UHFFFAOYSA-N
XLogP0.93
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119899019
3-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119902582
N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
CID 119864452
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide
CID 119864415
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 119946832
2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 60582319
N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119876347
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119864405) is 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide is CN1CCN(S(=O)(=O)c2cccc(NC(=O)C3C4CCC(C4)C3N)c2)CC1.
What is the InChIKey of 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UCECSQBGDZLEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-22-7-9-23(10-8-22)27(25,26)16-4-2-3-15(12-16)21-19(24)17-13-5-6-14(11-13)18(17)20/h2-4,12-14,17-18H,5-11,20H2,1H3,(H,21,24).
What are the key properties of 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119864405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).