N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide

C14H17N3O3S — CID 39162763

IUPACN-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc(C(=O)NCCN)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C14H17N3O3S/c1-2-9-8-10(12(18)16-6-5-15)14(21-9)17-13(19)11-4-3-7-20-11/h3-4,7-8H,2,5-6,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyXTEBOJUALMBQJB-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.84
Rot. Bonds6

About N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide

N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 39162763) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide
PubChem CID39162763
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc(C(=O)NCCN)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C14H17N3O3S/c1-2-9-8-10(12(18)16-6-5-15)14(21-9)17-13(19)11-4-3-7-20-11/h3-4,7-8H,2,5-6,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyXTEBOJUALMBQJB-UHFFFAOYSA-N
XLogP1.84
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-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-aminoethyl)-5-ethyl-2-(2-methylpropanoylamino)thiophene-3-carboxamide
CID 39162735
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162691
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
N-[3-(butylcarbamoyl)-5-ethylthiophen-2-yl]-5-nitrofuran-2-carboxamide
CID 71562191
ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 55547524
methyl 4-[[3-(benzylcarbamoyl)-5-ethylthiophen-2-yl]carbamoyl]benzoate
CID 22133061
N-[5-ethyl-3-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740829
N-[5-ethyl-3-[(R)-(2-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93480177
N-[5-ethyl-3-[(S)-(2-fluorophenyl)-(pyridin-2-ylamino)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93480178
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide (CID 39162763) is N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide is CCc1cc(C(=O)NCCN)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is XTEBOJUALMBQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-2-9-8-10(12(18)16-6-5-15)14(21-9)17-13(19)11-4-3-7-20-11/h3-4,7-8H,2,5-6,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide?
N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 39162763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).