2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide

C22H23NO3S2 — CID 155510289

IUPAC2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide
SMILESCc1ccc(NC(=O)C(C)(CS(=O)(=O)c2cccs2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO3S2/c1-16-6-10-18(11-7-16)22(3,15-28(25,26)20-5-4-14-27-20)21(24)23-19-12-8-17(2)9-13-19/h4-14H,15H2,1-3H3,(H,23,24)
InChIKeyPMKMYUNDPLKRIO-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.74
Rot. Bonds6

About 2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide

2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide (PubChem CID 155510289) has the molecular formula C22H23NO3S2 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide
PubChem CID155510289
Molecular FormulaC22H23NO3S2
Molecular Weight413.56 g/mol
Exact Mass413.11
IUPAC Name2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide
SMILESCc1ccc(NC(=O)C(C)(CS(=O)(=O)c2cccs2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO3S2/c1-16-6-10-18(11-7-16)22(3,15-28(25,26)20-5-4-14-27-20)21(24)23-19-12-8-17(2)9-13-19/h4-14H,15H2,1-3H3,(H,23,24)
InChIKeyPMKMYUNDPLKRIO-UHFFFAOYSA-N
XLogP4.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide
CID 134821990
2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide
CID 118707356
N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 4290749
4-Methyl-N-[4-(3-thiophen-2-yl-acryloyl)-phenyl]-benzamide
CID 5727407
N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide
CID 71661886
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118395829
2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]acetamide
CID 118395947
N-(2,4-difluorophenyl)-2-(4-((2-(4-ethylsulfonylphenyl)acetyl)amino)-2-fluorophenyl)-2-methylpropanamide
CID 137796283
2-(4-ethylsulfonylphenyl)-N-[4-[[propyl(thiophen-2-ylmethyl)amino]methyl]phenyl]acetamide
CID 141738566
2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-N-(4-fluorophenyl)-2-methylpropanamide
CID 145232219
N-(3-Ethylphenyl)-3-phenyl-2-(thiophene-2-sulfonamido)propanamide
CID 15987880
4-Methyl-5-phenyl-thiophene-3-carboxylic acid p-tolylamide
CID 801863

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of 2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide (CID 155510289) is 2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for 2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for 2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide is Cc1ccc(NC(=O)C(C)(CS(=O)(=O)c2cccs2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide?
The InChIKey is PMKMYUNDPLKRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S2/c1-16-6-10-18(11-7-16)22(3,15-28(25,26)20-5-4-14-27-20)21(24)23-19-12-8-17(2)9-13-19/h4-14H,15H2,1-3H3,(H,23,24).
What are the key properties of 2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide?
2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide has a molecular weight of 413.56 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,2-bis(4-methylphenyl)-3-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 155510289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).