3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide

C22H24N2O3S2 — CID 39050613

IUPAC3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(N(CCC(=O)NCc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-17-5-9-19(10-6-17)24(29(26,27)21-11-7-18(2)8-12-21)14-13-22(25)23-16-20-4-3-15-28-20/h3-12,15H,13-14,16H2,1-2H3,(H,23,25)
InChIKeyODPSMODRAWTXJL-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.27
Rot. Bonds8

About 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide

3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 39050613) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID39050613
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC Name3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(N(CCC(=O)NCc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-17-5-9-19(10-6-17)24(29(26,27)21-11-7-18(2)8-12-21)14-13-22(25)23-16-20-4-3-15-28-20/h3-12,15H,13-14,16H2,1-2H3,(H,23,25)
InChIKeyODPSMODRAWTXJL-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370
3-[N-(benzenesulfonyl)-4-methylanilino]-N-[2-(ethylamino)ethyl]propanamide
CID 119508722
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
N-[[3-(methoxymethyl)phenyl]methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 60555824
3-[N-(benzenesulfonyl)-4-methylanilino]-N-[2-(methylamino)propyl]propanamide
CID 120827257
3-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119433473
N-(3-aminopropyl)-3-[N-(benzenesulfonyl)-4-methylanilino]propanamide;hydrochloride
CID 119408323
(2R)-2-[3-[N-(benzenesulfonyl)-4-methylanilino]propanoylamino]propanoic acid
CID 119243865
2-[3-[N-(benzenesulfonyl)-4-methylanilino]propanoylamino]propanoic acid
CID 119225111
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide
CID 110415330
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2548359
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 7751591

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide (CID 39050613) is 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide is Cc1ccc(N(CCC(=O)NCc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is ODPSMODRAWTXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-17-5-9-19(10-6-17)24(29(26,27)21-11-7-18(2)8-12-21)14-13-22(25)23-16-20-4-3-15-28-20/h3-12,15H,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide?
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 428.58 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 39050613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).