4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide

C23H29NO4S — CID 1270421

IUPAC4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(CSC3CCCCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H29NO4S/c1-26-20-13-18(14-21(27-2)22(20)28-3)24-23(25)17-11-9-16(10-12-17)15-29-19-7-5-4-6-8-19/h9-14,19H,4-8,15H2,1-3H3,(H,24,25)
InChIKeyZZXWTXRSGBDHHY-UHFFFAOYSA-N
MW415.56 g/mol
LogP5.53
Rot. Bonds8

About 4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide

4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 1270421) has the molecular formula C23H29NO4S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID1270421
Molecular FormulaC23H29NO4S
Molecular Weight415.56 g/mol
Exact Mass415.18
IUPAC Name4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(CSC3CCCCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H29NO4S/c1-26-20-13-18(14-21(27-2)22(20)28-3)24-23(25)17-11-9-16(10-12-17)15-29-19-7-5-4-6-8-19/h9-14,19H,4-8,15H2,1-3H3,(H,24,25)
InChIKeyZZXWTXRSGBDHHY-UHFFFAOYSA-N
XLogP5.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 55884285
3-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 55335238
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60609505
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26717528
4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545250
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide
CID 110697559
3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 28723700

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 1270421) is 4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccc(CSC3CCCCC3)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is ZZXWTXRSGBDHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4S/c1-26-20-13-18(14-21(27-2)22(20)28-3)24-23(25)17-11-9-16(10-12-17)15-29-19-7-5-4-6-8-19/h9-14,19H,4-8,15H2,1-3H3,(H,24,25).
What are the key properties of 4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 415.56 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 1270421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).