N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide

C19H27N3O4S — CID 16734117

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide
SMILESCNc1ccc(C(=O)NC2CC3CCC2C3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H27N3O4S/c1-20-16-5-4-15(19(23)21-17-11-13-2-3-14(17)10-13)12-18(16)27(24,25)22-6-8-26-9-7-22/h4-5,12-14,17,20H,2-3,6-11H2,1H3,(H,21,23)
InChIKeyAUSCHIUODPHRIR-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.67
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide

N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 16734117) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID16734117
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide
SMILESCNc1ccc(C(=O)NC2CC3CCC2C3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H27N3O4S/c1-20-16-5-4-15(19(23)21-17-11-13-2-3-14(17)10-13)12-18(16)27(24,25)22-6-8-26-9-7-22/h4-5,12-14,17,20H,2-3,6-11H2,1H3,(H,21,23)
InChIKeyAUSCHIUODPHRIR-UHFFFAOYSA-N
XLogP1.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 40635286
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 21174681
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 125144986
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 11919996
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119604828
N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50944716
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6360251
N-(2-tert-butylcyclohexyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55582575
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-diethoxybenzamide
CID 100533999
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide
CID 100619770
4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
CID 125042197
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide
CID 2973945

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide (CID 16734117) is N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide is CNc1ccc(C(=O)NC2CC3CCC2C3)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AUSCHIUODPHRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-20-16-5-4-15(19(23)21-17-11-13-2-3-14(17)10-13)12-18(16)27(24,25)22-6-8-26-9-7-22/h4-5,12-14,17,20H,2-3,6-11H2,1H3,(H,21,23).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 393.51 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 16734117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).