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

C23H30N2O4S — CID 4960073

IUPACN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1
InChIInChI=1S/C23H30N2O4S/c1-3-16-29-21-11-7-8-18(17-21)23(26)24-19-12-14-22(15-13-19)30(27,28)25(2)20-9-5-4-6-10-20/h7-8,11-15,17,20H,3-6,9-10,16H2,1-2H3,(H,24,26)
InChIKeyXQIDNYNWPBUKFH-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.68
Rot. Bonds8

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

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide (PubChem CID 4960073) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide
PubChem CID4960073
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1
InChIInChI=1S/C23H30N2O4S/c1-3-16-29-21-11-7-8-18(17-21)23(26)24-19-12-14-22(15-13-19)30(27,28)25(2)20-9-5-4-6-10-20/h7-8,11-15,17,20H,3-6,9-10,16H2,1-2H3,(H,24,26)
InChIKeyXQIDNYNWPBUKFH-UHFFFAOYSA-N
XLogP4.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4955000
3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 17149762
3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 17342762
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134683
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
3,5-dichloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-4-propoxybenzamide
CID 18848670
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
N-cyclohexyl-3-propoxybenzamide
CID 4960053
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide (CID 4960073) is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1.
What is the InChIKey of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide?
The InChIKey is XQIDNYNWPBUKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-3-16-29-21-11-7-8-18(17-21)23(26)24-19-12-14-22(15-13-19)30(27,28)25(2)20-9-5-4-6-10-20/h7-8,11-15,17,20H,3-6,9-10,16H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide?
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide has a molecular weight of 430.57 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide is sourced from PubChem (CID 4960073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).