N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide

C13H21N3O2S — CID 39162735

IUPACN-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCCN)c(NC(=O)C(C)C)s1
InChIInChI=1S/C13H21N3O2S/c1-4-9-7-10(12(18)15-6-5-14)13(19-9)16-11(17)8(2)3/h7-8H,4-6,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOAQUUYDBVQJZPZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.59
Rot. Bonds6

About N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide

N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide (PubChem CID 39162735) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide
PubChem CID39162735
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)NCCN)c(NC(=O)C(C)C)s1
InChIInChI=1S/C13H21N3O2S/c1-4-9-7-10(12(18)15-6-5-14)13(19-9)16-11(17)8(2)3/h7-8H,4-6,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOAQUUYDBVQJZPZ-UHFFFAOYSA-N
XLogP1.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)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-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 39162763
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 39162635
ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095194
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-ethylthiophene-3-carboxylate
CID 65229431
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
ethyl 2-[(2-amino-3-methylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 61259040
N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162691
N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162699
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 876996

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide (CID 39162735) is N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide is CCc1cc(C(=O)NCCN)c(NC(=O)C(C)C)s1.
What is the InChIKey of N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide?
The InChIKey is OAQUUYDBVQJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-9-7-10(12(18)15-6-5-14)13(19-9)16-11(17)8(2)3/h7-8H,4-6,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide?
N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 39162735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).