3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide

C23H29BrN2O4S — CID 17342762

IUPAC3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1Br
InChIInChI=1S/C23H29BrN2O4S/c1-3-15-30-22-14-9-17(16-21(22)24)23(27)25-18-10-12-20(13-11-18)31(28,29)26(2)19-7-5-4-6-8-19/h9-14,16,19H,3-8,15H2,1-2H3,(H,25,27)
InChIKeyBYUKTYHVTKBOFN-UHFFFAOYSA-N
MW509.47 g/mol
LogP5.44
Rot. Bonds8

About 3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide

3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide (PubChem CID 17342762) has the molecular formula C23H29BrN2O4S and a molecular weight of 509.47 g/mol. Its IUPAC name is 3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide
PubChem CID17342762
Molecular FormulaC23H29BrN2O4S
Molecular Weight509.47 g/mol
Exact Mass508.10
IUPAC Name3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1Br
InChIInChI=1S/C23H29BrN2O4S/c1-3-15-30-22-14-9-17(16-21(22)24)23(27)25-18-10-12-20(13-11-18)31(28,29)26(2)19-7-5-4-6-8-19/h9-14,16,19H,3-8,15H2,1-2H3,(H,25,27)
InChIKeyBYUKTYHVTKBOFN-UHFFFAOYSA-N
XLogP5.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide
CID 4960073
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide
CID 17342760
5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357269
3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17342662
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide
CID 18848670
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
CID 17342731
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4955000
3-bromo-N-cyclohexyl-4-propoxybenzamide
CID 17342733
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 9494456

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide (CID 17342762) is 3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide?
The InChIKey is BYUKTYHVTKBOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O4S/c1-3-15-30-22-14-9-17(16-21(22)24)23(27)25-18-10-12-20(13-11-18)31(28,29)26(2)19-7-5-4-6-8-19/h9-14,16,19H,3-8,15H2,1-2H3,(H,25,27).
What are the key properties of 3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide?
3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide has a molecular weight of 509.47 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide is sourced from PubChem (CID 17342762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).