4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide

C23H26N2O3S — CID 133145390

IUPAC4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESC=CCN(c1ccc(C(=O)N[C@@H]2CC3CCC2C3)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26N2O3S/c1-2-14-25(29(27,28)21-6-4-3-5-7-21)20-12-10-18(11-13-20)23(26)24-22-16-17-8-9-19(22)15-17/h2-7,10-13,17,19,22H,1,8-9,14-16H2,(H,24,26)/t17?,19?,22-/m1/s1
InChIKeyCAJYPMVZVWBNBZ-RKOYOZNISA-N
MW410.54 g/mol
LogP3.99
Rot. Bonds7

About 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide

4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 133145390) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID133145390
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESC=CCN(c1ccc(C(=O)N[C@@H]2CC3CCC2C3)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26N2O3S/c1-2-14-25(29(27,28)21-6-4-3-5-7-21)20-12-10-18(11-13-20)23(26)24-22-16-17-8-9-19(22)15-17/h2-7,10-13,17,19,22H,1,8-9,14-16H2,(H,24,26)/t17?,19?,22-/m1/s1
InChIKeyCAJYPMVZVWBNBZ-RKOYOZNISA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23229827
4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
CID 132660905
4-[benzyl(methylsulfonyl)amino]-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23911808
N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 53289335
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 7326108
N-(2-bicyclo[2.2.1]heptanyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 2866146
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide
CID 92648429
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1231482
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 3142639

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide (CID 133145390) is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide is C=CCN(c1ccc(C(=O)N[C@@H]2CC3CCC2C3)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is CAJYPMVZVWBNBZ-RKOYOZNISA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-2-14-25(29(27,28)21-6-4-3-5-7-21)20-12-10-18(11-13-20)23(26)24-22-16-17-8-9-19(22)15-17/h2-7,10-13,17,19,22H,1,8-9,14-16H2,(H,24,26)/t17?,19?,22-/m1/s1.
What are the key properties of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide?
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 410.54 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 133145390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).