N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

C18H24N2O3S3 — CID 30837668

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSCc2cccs2)ccc1C
InChIInChI=1S/C18H24N2O3S3/c1-4-20(5-2)26(22,23)17-11-15(9-8-14(17)3)19-18(21)13-24-12-16-7-6-10-25-16/h6-11H,4-5,12-13H2,1-3H3,(H,19,21)
InChIKeyVOZCSMXYMRCXCF-UHFFFAOYSA-N
MW412.60 g/mol
LogP3.96
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 30837668) has the molecular formula C18H24N2O3S3 and a molecular weight of 412.60 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID30837668
Molecular FormulaC18H24N2O3S3
Molecular Weight412.60 g/mol
Exact Mass412.09
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSCc2cccs2)ccc1C
InChIInChI=1S/C18H24N2O3S3/c1-4-20(5-2)26(22,23)17-11-15(9-8-14(17)3)19-18(21)13-24-12-16-7-6-10-25-16/h6-11H,4-5,12-13H2,1-3H3,(H,19,21)
InChIKeyVOZCSMXYMRCXCF-UHFFFAOYSA-N
XLogP3.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965560
methyl 3-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]sulfanylpropanoate
CID 8785479
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8570201
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3945718
N-(4-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8569586
N-(4-fluoro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8639932
N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 4612401
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8828438
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 30837668) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CSCc2cccs2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is VOZCSMXYMRCXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S3/c1-4-20(5-2)26(22,23)17-11-15(9-8-14(17)3)19-18(21)13-24-12-16-7-6-10-25-16/h6-11H,4-5,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 412.60 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 30837668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).