N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide

C21H18ClN3O3S — CID 33289468

IUPACN-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccccc1NC(=O)c1cccs1
InChIInChI=1S/C21H18ClN3O3S/c1-25(13-19(26)23-15-7-4-6-14(22)12-15)21(28)16-8-2-3-9-17(16)24-20(27)18-10-5-11-29-18/h2-12H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyHTSFTTAJBSWCAR-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.36
Rot. Bonds6

About N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 33289468) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID33289468
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC NameN-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccccc1NC(=O)c1cccs1
InChIInChI=1S/C21H18ClN3O3S/c1-25(13-19(26)23-15-7-4-6-14(22)12-15)21(28)16-8-2-3-9-17(16)24-20(27)18-10-5-11-29-18/h2-12H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyHTSFTTAJBSWCAR-UHFFFAOYSA-N
XLogP4.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]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

N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55535124
N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 71898965
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47068278
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-chloro-5-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27807443
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 38624834
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55455727
3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 38620709
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 38621418
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30496839
N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9227180

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 33289468) is N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1ccccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is HTSFTTAJBSWCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c1-25(13-19(26)23-15-7-4-6-14(22)12-15)21(28)16-8-2-3-9-17(16)24-20(27)18-10-5-11-29-18/h2-12H,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 427.91 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 33289468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).