N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C20H28N2O3S — CID 40635286

IUPACN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H28N2O3S/c1-14-5-7-17(20(23)21-18-12-15-6-8-16(18)11-15)13-19(14)26(24,25)22-9-3-2-4-10-22/h5,7,13,15-16,18H,2-4,6,8-12H2,1H3,(H,21,23)/t15-,16+,18-/m0/s1
InChIKeyNGJBYSRJZRDUOH-JZXOWHBKSA-N
MW376.52 g/mol
LogP3.09
Rot. Bonds4

About N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 40635286) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID40635286
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H28N2O3S/c1-14-5-7-17(20(23)21-18-12-15-6-8-16(18)11-15)13-19(14)26(24,25)22-9-3-2-4-10-22/h5,7,13,15-16,18H,2-4,6,8-12H2,1H3,(H,21,23)/t15-,16+,18-/m0/s1
InChIKeyNGJBYSRJZRDUOH-JZXOWHBKSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide 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

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 21174681
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
5-(azepan-1-ylsulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)-2-methylbenzamide
CID 53281767
N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide
CID 16734117
N-cyclopropyl-4-methyl-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 47047657
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7126622
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 18555718
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7186323
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2963677
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 40635286) is N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NGJBYSRJZRDUOH-JZXOWHBKSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-14-5-7-17(20(23)21-18-12-15-6-8-16(18)11-15)13-19(14)26(24,25)22-9-3-2-4-10-22/h5,7,13,15-16,18H,2-4,6,8-12H2,1H3,(H,21,23)/t15-,16+,18-/m0/s1.
What are the key properties of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 376.52 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 40635286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).