N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide

C22H23N3O2S — CID 47033342

IUPACN-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(C)c1
InChIInChI=1S/C22H23N3O2S/c1-15-9-10-17(16(2)12-15)14-25(3)22(27)24-19-7-4-6-18(13-19)23-21(26)20-8-5-11-28-20/h4-13H,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyIBEXQFUZGQBKLL-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.28
Rot. Bonds5

About N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 47033342) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID47033342
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(C)c1
InChIInChI=1S/C22H23N3O2S/c1-15-9-10-17(16(2)12-15)14-25(3)22(27)24-19-7-4-6-18(13-19)23-21(26)20-8-5-11-28-20/h4-13H,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyIBEXQFUZGQBKLL-UHFFFAOYSA-N
XLogP5.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86987874
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 46577510
N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30707274
N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
CID 112985944
N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18113327
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520708
3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 9228041
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 16917684
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
N-[3-(2-methylpropanoylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 17099700
N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9227180

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide (CID 47033342) is N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide is Cc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(C)c1.
What is the InChIKey of N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is IBEXQFUZGQBKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15-9-10-17(16(2)12-15)14-25(3)22(27)24-19-7-4-6-18(13-19)23-21(26)20-8-5-11-28-20/h4-13H,14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2,4-dimethylphenyl)methyl-methylcarbamoyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 47033342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).