2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide

C19H28N2O4S — CID 21175502

IUPAC2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H28N2O4S/c1-4-25-17-8-7-16(12-18(17)26(23,24)21(2)3)20-19(22)11-15-10-13-5-6-14(15)9-13/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,20,22)/t13-,14-,15+/m1/s1
InChIKeyFOSNRNKHLKZPGZ-KFWWJZLASA-N
MW380.51 g/mol
LogP3.10
Rot. Bonds7

About 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide

2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide (PubChem CID 21175502) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
PubChem CID21175502
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H28N2O4S/c1-4-25-17-8-7-16(12-18(17)26(23,24)21(2)3)20-19(22)11-15-10-13-5-6-14(15)9-13/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,20,22)/t13-,14-,15+/m1/s1
InChIKeyFOSNRNKHLKZPGZ-KFWWJZLASA-N
XLogP3.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide with MolForge

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Related Compounds

2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 21174722
[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21175132
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 11943982
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 129376635
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 11936521
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21175312
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The IUPAC name of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide (CID 21175502) is 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide.
What is the SMILES notation for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The canonical SMILES for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide is CCOc1ccc(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
The InChIKey is FOSNRNKHLKZPGZ-KFWWJZLASA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-4-25-17-8-7-16(12-18(17)26(23,24)21(2)3)20-19(22)11-15-10-13-5-6-14(15)9-13/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,20,22)/t13-,14-,15+/m1/s1.
What are the key properties of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide?
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide has a molecular weight of 380.51 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide is sourced from PubChem (CID 21175502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).