2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide

C22H26N2O3S — CID 6732970

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C22H26N2O3S/c1-28(26,27)24(15-16-7-3-2-4-8-16)21-10-6-5-9-19(21)22(25)23-20-14-17-11-12-18(20)13-17/h2-10,17-18,20H,11-15H2,1H3,(H,23,25)/t17-,18-,20-/m0/s1
InChIKeyQXUAOCLDHANCHP-BJLQDIEVSA-N
MW398.53 g/mol
LogP3.57
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide

2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 6732970) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID6732970
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C22H26N2O3S/c1-28(26,27)24(15-16-7-3-2-4-8-16)21-10-6-5-9-19(21)22(25)23-20-14-17-11-12-18(20)13-17/h2-10,17-18,20H,11-15H2,1H3,(H,23,25)/t17-,18-,20-/m0/s1
InChIKeyQXUAOCLDHANCHP-BJLQDIEVSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1202343
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424
4-[benzyl(methylsulfonyl)amino]-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23911808
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
N-(2-bicyclo[2.2.1]heptanyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287255
2-[benzyl(methylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 125057680
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 23231964
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 6974295
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 2892492

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide (CID 6732970) is 2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide is CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is QXUAOCLDHANCHP-BJLQDIEVSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-28(26,27)24(15-16-7-3-2-4-8-16)21-10-6-5-9-19(21)22(25)23-20-14-17-11-12-18(20)13-17/h2-10,17-18,20H,11-15H2,1H3,(H,23,25)/t17-,18-,20-/m0/s1.
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 398.53 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 6732970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).