2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide

C20H31N3O3S — CID 51933846

IUPAC2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C20H31N3O3S/c1-4-23(5-2)27(25,26)17-8-9-18(21-3)19(13-17)22-20(24)12-16-11-14-6-7-15(16)10-14/h8-9,13-16,21H,4-7,10-12H2,1-3H3,(H,22,24)/t14-,15+,16-/m0/s1
InChIKeyMAMJCSITLXOTFM-XHSDSOJGSA-N
MW393.55 g/mol
LogP3.52
Rot. Bonds8

About 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide (PubChem CID 51933846) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
PubChem CID51933846
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C20H31N3O3S/c1-4-23(5-2)27(25,26)17-8-9-18(21-3)19(13-17)22-20(24)12-16-11-14-6-7-15(16)10-14/h8-9,13-16,21H,4-7,10-12H2,1-3H3,(H,22,24)/t14-,15+,16-/m0/s1
InChIKeyMAMJCSITLXOTFM-XHSDSOJGSA-N
XLogP3.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide 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

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 11914003
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21175312
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
CID 98385098
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 11936521
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4810865
2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
CID 119682102
N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119682122
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide
CID 21174906
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide
CID 11936334
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
CID 7923830
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-methylpropylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 98606271
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-bromo-4-methylphenyl)acetamide
CID 11918994

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide?
The IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide (CID 51933846) is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide.
What is the SMILES notation for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide?
The canonical SMILES for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1.
What is the InChIKey of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide?
The InChIKey is MAMJCSITLXOTFM-XHSDSOJGSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-4-23(5-2)27(25,26)17-8-9-18(21-3)19(13-17)22-20(24)12-16-11-14-6-7-15(16)10-14/h8-9,13-16,21H,4-7,10-12H2,1-3H3,(H,22,24)/t14-,15+,16-/m0/s1.
What are the key properties of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide?
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide has a molecular weight of 393.55 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide is sourced from PubChem (CID 51933846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).