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

C21H19N3O3S — CID 55637692

IUPACN-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C21H19N3O3S/c1-24(14-19(25)22-16-8-3-2-4-9-16)21(27)15-7-5-10-17(13-15)23-20(26)18-11-6-12-28-18/h2-13H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyZISKLBNPVRXZCG-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.71
Rot. Bonds6

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

N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55637692) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID55637692
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C21H19N3O3S/c1-24(14-19(25)22-16-8-3-2-4-9-16)21(27)15-7-5-10-17(13-15)23-20(26)18-11-6-12-28-18/h2-13H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyZISKLBNPVRXZCG-UHFFFAOYSA-N
XLogP3.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9227180
N-[3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 51267589
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31370190
N-[3-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839457
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
N-[3-[(4-bromophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32758172
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30496839
N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33289468
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119660635
N-[3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18111806

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 55637692) is N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is ZISKLBNPVRXZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-24(14-19(25)22-16-8-3-2-4-9-16)21(27)15-7-5-10-17(13-15)23-20(26)18-11-6-12-28-18/h2-13H,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55637692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).