N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C22H22N4O3S — CID 78850259

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C22H22N4O3S/c1-26(2)21(28)16-10-8-15(9-11-16)14-23-20(27)18-12-13-19(30-18)25-22(29)24-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,23,27)(H2,24,25,29)
InChIKeyWJIIQJBYAIIGTM-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.02
Rot. Bonds6

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 78850259) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID78850259
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C22H22N4O3S/c1-26(2)21(28)16-10-8-15(9-11-16)14-23-20(27)18-12-13-19(30-18)25-22(29)24-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,23,27)(H2,24,25,29)
InChIKeyWJIIQJBYAIIGTM-UHFFFAOYSA-N
XLogP4.02
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86921803
N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849550
5-(phenylcarbamoylamino)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 112815001
N-[[2-(methoxymethyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78853961
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78890714
N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846484
5-(phenylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]thiophene-2-carboxamide
CID 78849767
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849577
N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60556284
5-acetamido-N-[[4-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 107232601
N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119582974
N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 86927392

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 78850259) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is CN(C)C(=O)c1ccc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cc1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is WJIIQJBYAIIGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-26(2)21(28)16-10-8-15(9-11-16)14-23-20(27)18-12-13-19(30-18)25-22(29)24-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,23,27)(H2,24,25,29).
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 78850259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).