N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide

C22H23N3O4S2 — CID 24684951

IUPACN-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H23N3O4S2/c1-24(2)31(28,29)20-13-7-4-9-16(20)15-23-21(26)17-10-5-6-11-18(17)25(3)22(27)19-12-8-14-30-19/h4-14H,15H2,1-3H3,(H,23,26)
InChIKeyRYYZYXCTMOQXIH-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.20
Rot. Bonds7

About N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide

N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide (PubChem CID 24684951) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
PubChem CID24684951
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC NameN-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H23N3O4S2/c1-24(2)31(28,29)20-13-7-4-9-16(20)15-23-21(26)17-10-5-6-11-18(17)25(3)22(27)19-12-8-14-30-19/h4-14H,15H2,1-3H3,(H,23,26)
InChIKeyRYYZYXCTMOQXIH-UHFFFAOYSA-N
XLogP3.20
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 51319097
N-methyl-N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 131937299
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-propan-2-ylsulfanylbenzamide
CID 51319254
N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 110471616
N-methyl-N-[2-[[3-(propan-2-yloxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55748660
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylbut-2-enamide
CID 47143995
N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 38769819
N-methyl-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 36543876
N-[2-[2-(2-cyano-3-fluoroanilino)ethylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 55753887
N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55966598
N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35739105

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide (CID 24684951) is N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)c1ccccc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The InChIKey is RYYZYXCTMOQXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-24(2)31(28,29)20-13-7-4-9-16(20)15-23-21(26)17-10-5-6-11-18(17)25(3)22(27)19-12-8-14-30-19/h4-14H,15H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 24684951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).