3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide

C24H32N2O4S — CID 17149762

IUPAC3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1
InChIInChI=1S/C24H32N2O4S/c1-4-18(2)30-22-12-8-9-19(17-22)24(27)25-20-13-15-23(16-14-20)31(28,29)26(3)21-10-6-5-7-11-21/h8-9,12-18,21H,4-7,10-11H2,1-3H3,(H,25,27)
InChIKeyMQEYTVQTBPLCCG-UHFFFAOYSA-N
MW444.60 g/mol
LogP5.07
Rot. Bonds8

About 3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide

3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide (PubChem CID 17149762) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
PubChem CID17149762
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1
InChIInChI=1S/C24H32N2O4S/c1-4-18(2)30-22-12-8-9-19(17-22)24(27)25-20-13-15-23(16-14-20)31(28,29)26(3)21-10-6-5-7-11-21/h8-9,12-18,21H,4-7,10-11H2,1-3H3,(H,25,27)
InChIKeyMQEYTVQTBPLCCG-UHFFFAOYSA-N
XLogP5.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 55.07
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-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4955000
3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17149736
3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 17149747
3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17149776
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
3-butan-2-yloxy-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide
CID 43915005
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049764
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134683

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide (CID 17149762) is 3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide is CCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide?
The InChIKey is MQEYTVQTBPLCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-4-18(2)30-22-12-8-9-19(17-22)24(27)25-20-13-15-23(16-14-20)31(28,29)26(3)21-10-6-5-7-11-21/h8-9,12-18,21H,4-7,10-11H2,1-3H3,(H,25,27).
What are the key properties of 3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide?
3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide has a molecular weight of 444.60 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 17149762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).