N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide

C23H28N2O4S — CID 132668447

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CC4CCC3C4)cc2)cc1
InChIInChI=1S/C23H28N2O4S/c1-25(30(27,28)21-11-9-20(29-2)10-12-21)15-16-3-6-18(7-4-16)23(26)24-22-14-17-5-8-19(22)13-17/h3-4,6-7,9-12,17,19,22H,5,8,13-15H2,1-2H3,(H,24,26)
InChIKeyJRVURWVMQWJUNC-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.43
Rot. Bonds7

About N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide

N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide (PubChem CID 132668447) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide
PubChem CID132668447
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CC4CCC3C4)cc2)cc1
InChIInChI=1S/C23H28N2O4S/c1-25(30(27,28)21-11-9-20(29-2)10-12-21)15-16-3-6-18(7-4-16)23(26)24-22-14-17-5-8-19(22)13-17/h3-4,6-7,9-12,17,19,22H,5,8,13-15H2,1-2H3,(H,24,26)
InChIKeyJRVURWVMQWJUNC-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide with MolForge

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Related Compounds

4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
CID 132660905
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203505
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278727
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23229827
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203406
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 7326108
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetamide
CID 98340039
N-(2-bicyclo[2.2.1]heptanyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 2866146
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 98124251

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide (CID 132668447) is N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide is COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CC4CCC3C4)cc2)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide?
The InChIKey is JRVURWVMQWJUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-25(30(27,28)21-11-9-20(29-2)10-12-21)15-16-3-6-18(7-4-16)23(26)24-22-14-17-5-8-19(22)13-17/h3-4,6-7,9-12,17,19,22H,5,8,13-15H2,1-2H3,(H,24,26).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide has a molecular weight of 428.55 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzamide is sourced from PubChem (CID 132668447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).