N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

C19H28N2O4S — CID 100770300

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C19H28N2O4S/c1-21(2)26(23,24)16-7-8-18(25-3)15(12-16)6-9-19(22)20-17-11-13-4-5-14(17)10-13/h7-8,12-14,17H,4-6,9-11H2,1-3H3,(H,20,22)/t13-,14+,17+/m0/s1
InChIKeyXHRHGPMUFRKMRS-JJRVBVJISA-N
MW380.51 g/mol
LogP2.18
Rot. Bonds7

About N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 100770300) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID100770300
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C19H28N2O4S/c1-21(2)26(23,24)16-7-8-18(25-3)15(12-16)6-9-19(22)20-17-11-13-4-5-14(17)10-13/h7-8,12-14,17H,4-6,9-11H2,1-3H3,(H,20,22)/t13-,14+,17+/m0/s1
InChIKeyXHRHGPMUFRKMRS-JJRVBVJISA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide 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,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100561481
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 125049354
N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 133160744
N-(2-bicyclo[2.2.1]heptanyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 2947243
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100556358
N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100678955
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
3-(2,5-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 38016036
methyl 2-[3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanoylamino]-4,5-dimethoxybenzoate
CID 100600934
N-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylsulfamoyl)benzamide
CID 133231330
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide
CID 125073112
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754253

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 100770300) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is XHRHGPMUFRKMRS-JJRVBVJISA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-21(2)26(23,24)16-7-8-18(25-3)15(12-16)6-9-19(22)20-17-11-13-4-5-14(17)10-13/h7-8,12-14,17H,4-6,9-11H2,1-3H3,(H,20,22)/t13-,14+,17+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 380.51 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 100770300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).