N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide

C27H30N2O4S — CID 24628497

IUPACN-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H30N2O4S/c1-4-5-8-19-11-13-20(14-12-19)29-27(31)22-9-6-7-10-25(22)34-18-26(30)28-21-15-16-23(32-2)24(17-21)33-3/h6-7,9-17H,4-5,8,18H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyKRWRXFQWOQPPAW-UHFFFAOYSA-N
MW478.61 g/mol
LogP6.03
Rot. Bonds11

About N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide

N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 24628497) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
PubChem CID24628497
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC NameN-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H30N2O4S/c1-4-5-8-19-11-13-20(14-12-19)29-27(31)22-9-6-7-10-25(22)34-18-26(30)28-21-15-16-23(32-2)24(17-21)33-3/h6-7,9-17H,4-5,8,18H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyKRWRXFQWOQPPAW-UHFFFAOYSA-N
XLogP6.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24648209
N-(3-chlorophenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 26086320
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628688
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 24628677
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24628673
N-(5-tert-butyl-2-hydroxyphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628595
N-(4-butylphenyl)-2-methylsulfanylbenzamide
CID 2228351
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
N-(3,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 43010479
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628261
2-(4-butylphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
CID 55624153

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide (CID 24628497) is N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide is CCCCc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is KRWRXFQWOQPPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-4-5-8-19-11-13-20(14-12-19)29-27(31)22-9-6-7-10-25(22)34-18-26(30)28-21-15-16-23(32-2)24(17-21)33-3/h6-7,9-17H,4-5,8,18H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide?
N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 478.61 g/mol, XLogP of 6.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 24628497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).