2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide

C23H28N2O4S — CID 129376450

IUPAC2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)ccc2C)cc1
InChIInChI=1S/C23H28N2O4S/c1-15-3-6-20(24-23(26)13-18-12-16-4-5-17(18)11-16)14-22(15)30(27,28)25-19-7-9-21(29-2)10-8-19/h3,6-10,14,16-18,25H,4-5,11-13H2,1-2H3,(H,24,26)/t16-,17-,18-/m0/s1
InChIKeyNSFASMHBSJHZMY-BZSNNMDCSA-N
MW428.55 g/mol
LogP4.57
Rot. Bonds7

About 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide (PubChem CID 129376450) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
PubChem CID129376450
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)ccc2C)cc1
InChIInChI=1S/C23H28N2O4S/c1-15-3-6-20(24-23(26)13-18-12-16-4-5-17(18)11-16)14-22(15)30(27,28)25-19-7-9-21(29-2)10-8-19/h3,6-10,14,16-18,25H,4-5,11-13H2,1-2H3,(H,24,26)/t16-,17-,18-/m0/s1
InChIKeyNSFASMHBSJHZMY-BZSNNMDCSA-N
XLogP4.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]acetamide
CID 25339777
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]acetamide
CID 3949537
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 21175305
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 129376635
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 7772878
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51157569
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(4-methoxyphenyl)acetamide
CID 63682993
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 26056890
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 11918943
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18556175

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide (CID 129376450) is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)ccc2C)cc1.
What is the InChIKey of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is NSFASMHBSJHZMY-BZSNNMDCSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-15-3-6-20(24-23(26)13-18-12-16-4-5-17(18)11-16)14-22(15)30(27,28)25-19-7-9-21(29-2)10-8-19/h3,6-10,14,16-18,25H,4-5,11-13H2,1-2H3,(H,24,26)/t16-,17-,18-/m0/s1.
What are the key properties of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide?
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 428.55 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 129376450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).