N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide

C16H19N3O2S — CID 39162699

IUPACN-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(C)cc2C(=O)NCCN)cc1
InChIInChI=1S/C16H19N3O2S/c1-10-3-5-12(6-4-10)14(20)19-16-13(9-11(2)22-16)15(21)18-8-7-17/h3-6,9H,7-8,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUMXOYWMOQUGLGA-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.31
Rot. Bonds5

About N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide

N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 39162699) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID39162699
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1ccc(C(=O)Nc2sc(C)cc2C(=O)NCCN)cc1
InChIInChI=1S/C16H19N3O2S/c1-10-3-5-12(6-4-10)14(20)19-16-13(9-11(2)22-16)15(21)18-8-7-17/h3-6,9H,7-8,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUMXOYWMOQUGLGA-UHFFFAOYSA-N
XLogP2.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-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-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162691
N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide
CID 39162703
N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 39162635
N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide
CID 119384710
2-[(4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 6954275
2-[(4-ethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615644
ethyl 2-[(4-bromobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 1038105
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11624156
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide (CID 39162699) is N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide is Cc1ccc(C(=O)Nc2sc(C)cc2C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is UMXOYWMOQUGLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-3-5-12(6-4-10)14(20)19-16-13(9-11(2)22-16)15(21)18-8-7-17/h3-6,9H,7-8,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide?
N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 39162699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).