N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide

C14H16N4O2S — CID 44560912

IUPACN-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide
SMILESNCCNC(=O)c1cc(-c2ccccc2)sc1NC(N)=O
InChIInChI=1S/C14H16N4O2S/c15-6-7-17-12(19)10-8-11(9-4-2-1-3-5-9)21-13(10)18-14(16)20/h1-5,8H,6-7,15H2,(H,17,19)(H3,16,18,20)
InChIKeyRNWYIAWCONJCSS-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.59
Rot. Bonds5

About N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide

N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide (PubChem CID 44560912) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide
PubChem CID44560912
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide
SMILESNCCNC(=O)c1cc(-c2ccccc2)sc1NC(N)=O
InChIInChI=1S/C14H16N4O2S/c15-6-7-17-12(19)10-8-11(9-4-2-1-3-5-9)21-13(10)18-14(16)20/h1-5,8H,6-7,15H2,(H,17,19)(H3,16,18,20)
InChIKeyRNWYIAWCONJCSS-UHFFFAOYSA-N
XLogP1.59
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-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

Azd7762
CID 11152667
Tpca-1
CID 9903786
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
3-(Carbamoylamino)-5-Phenylthiophene-2-Carboxamide
CID 10220851
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-(Carbamoylamino)-5-(4-Chlorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11451776
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
2-(Carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]thiophene-3-carboxamide
CID 25137992
2-(Carbamoylamino)-5-[2-(2-fluorophenyl)ethynyl]thiophene-3-carboxamide
CID 25137993
2-(Carbamoylamino)-5-[2-(2-methylphenyl)ethynyl]thiophene-3-carboxamide
CID 25137995
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide
CID 1442554

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide (CID 44560912) is N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide is NCCNC(=O)c1cc(-c2ccccc2)sc1NC(N)=O.
What is the InChIKey of N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide?
The InChIKey is RNWYIAWCONJCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-6-7-17-12(19)10-8-11(9-4-2-1-3-5-9)21-13(10)18-14(16)20/h1-5,8H,6-7,15H2,(H,17,19)(H3,16,18,20).
What are the key properties of N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide?
N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(carbamoylamino)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 44560912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).