N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide

C19H17NO3S2 — CID 53124608

IUPACN-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C19H17NO3S2/c1-13-3-7-15(8-4-13)20-19(21)17-11-12-18(24-17)25(22,23)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H,20,21)
InChIKeyVHIUKMXDRNSXIT-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.45
Rot. Bonds4

About N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide

N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide (PubChem CID 53124608) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
PubChem CID53124608
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC NameN-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C19H17NO3S2/c1-13-3-7-15(8-4-13)20-19(21)17-11-12-18(24-17)25(22,23)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H,20,21)
InChIKeyVHIUKMXDRNSXIT-UHFFFAOYSA-N
XLogP4.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124593
5-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 53124572
5-(benzenesulfonyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 53124355
5-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 53124469
N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124526
N-(3-acetylphenyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 53124429
5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 36865757
1-methyl-3-[4-(5-sulfamoylthiophen-2-yl)sulfonylphenyl]urea
CID 76852481
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
[4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate
CID 5112420
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
2-methyl-2-[4-[(5-methylsulfonylthiophene-2-carbonyl)amino]phenyl]propanoic acid
CID 122108024

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide (CID 53124608) is N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
The InChIKey is VHIUKMXDRNSXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-13-3-7-15(8-4-13)20-19(21)17-11-12-18(24-17)25(22,23)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide?
N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 53124608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).