N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide

C18H26N2O3S — CID 3484365

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CC2CCC1C2
InChIInChI=1S/C18H26N2O3S/c1-12(17-10-13-7-8-14(17)9-13)19-18(21)15-5-4-6-16(11-15)24(22,23)20(2)3/h4-6,11-14,17H,7-10H2,1-3H3,(H,19,21)
InChIKeyFBCMKFWBKKWECU-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.49
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 3484365) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID3484365
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CC2CCC1C2
InChIInChI=1S/C18H26N2O3S/c1-12(17-10-13-7-8-14(17)9-13)19-18(21)15-5-4-6-16(11-15)24(22,23)20(2)3/h4-6,11-14,17H,7-10H2,1-3H3,(H,19,21)
InChIKeyFBCMKFWBKKWECU-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1076675
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N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide
CID 24983123
1-Cyclohexylamido-5-sulfonamidoindane
CID 11659798
2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)benzamide
CID 11718391
2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-indan-2-yl)-benzamide
CID 44395790
N-(1-bicyclo[2.2.1]hept-2-ylethyl)-4-methylbenzamide
CID 2930917
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylbenzamide
CID 4302595
N-(2-phenylethyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1262340
Cambridge id 5344930
CID 1379044
4-(dipropylsulfamoyl)-N-(3-methylcyclohexyl)benzamide
CID 54077127
N-[2-(3,4-dimethylphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71449441

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide (CID 3484365) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide is CC(NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is FBCMKFWBKKWECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-12(17-10-13-7-8-14(17)9-13)19-18(21)15-5-4-6-16(11-15)24(22,23)20(2)3/h4-6,11-14,17H,7-10H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 350.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 3484365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).