2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide

C18H18N2O3S3 — CID 3236370

IUPAC2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H18N2O3S3/c1-14-6-8-15(9-7-14)20(26(22,23)18-5-3-11-25-18)13-17(21)19-12-16-4-2-10-24-16/h2-11H,12-13H2,1H3,(H,19,21)
InChIKeyICWWDZDZCZKIOV-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.63
Rot. Bonds7

About 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide

2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3236370) has the molecular formula C18H18N2O3S3 and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3236370
Molecular FormulaC18H18N2O3S3
Molecular Weight406.55 g/mol
Exact Mass406.05
IUPAC Name2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H18N2O3S3/c1-14-6-8-15(9-7-14)20(26(22,23)18-5-3-11-25-18)13-17(21)19-12-16-4-2-10-24-16/h2-11H,12-13H2,1H3,(H,19,21)
InChIKeyICWWDZDZCZKIOV-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855643
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 39050613
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855632
ethyl 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100547151
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide
CID 3242480
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815
N-(2,4-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 15990975
N-(2,5-difluorophenyl)-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 126458216
N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271860
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30257544
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 30265535
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide (CID 3236370) is 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ICWWDZDZCZKIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S3/c1-14-6-8-15(9-7-14)20(26(22,23)18-5-3-11-25-18)13-17(21)19-12-16-4-2-10-24-16/h2-11H,12-13H2,1H3,(H,19,21).
What are the key properties of 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 406.55 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3236370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).