N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide

C20H15N3O3S2 — CID 56670206

IUPACN-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C#Cc2cccc(NC(=O)c3ccsc3)c2)sc1NC(N)=O
InChIInChI=1S/C20H15N3O3S2/c1-12(24)17-10-16(28-19(17)23-20(21)26)6-5-13-3-2-4-15(9-13)22-18(25)14-7-8-27-11-14/h2-4,7-11H,1H3,(H,22,25)(H3,21,23,26)
InChIKeyUAPQRNCGLGJDLP-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.15
Rot. Bonds4

About N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide

N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide (PubChem CID 56670206) has the molecular formula C20H15N3O3S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide
PubChem CID56670206
Molecular FormulaC20H15N3O3S2
Molecular Weight409.49 g/mol
Exact Mass409.06
IUPAC NameN-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C#Cc2cccc(NC(=O)c3ccsc3)c2)sc1NC(N)=O
InChIInChI=1S/C20H15N3O3S2/c1-12(24)17-10-16(28-19(17)23-20(21)26)6-5-13-3-2-4-15(9-13)22-18(25)14-7-8-27-11-14/h2-4,7-11H,1H3,(H,22,25)(H3,21,23,26)
InChIKeyUAPQRNCGLGJDLP-UHFFFAOYSA-N
XLogP4.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]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

2-(Carbamoylamino)-5-[2-(thiophen-3-yl)ethynyl]thiophene-3-carboxamide
CID 25137988
5-[2-(3-Aminophenyl)ethynyl]-2-(carbamoylamino)thiophene-3-carboxamide
CID 25137998
5-[2-(3-Benzamidophenyl)ethynyl]-2-(carbamoylamino)thiophene-3-carboxamide
CID 25138002
2-(Carbamoylamino)-5-[2-(3-acetamidophenyl)ethynyl]thiophene-3-carboxamide
CID 25138003
2-(Carbamoylamino)-5-{2-[3-(2,2,2-trifluoroacetamido)phenyl]ethynyl}thiophene-3-carboxamide
CID 25138004
2-(Carbamoylamino)-5-[2-(3-methanesulfonamidophenyl)ethynyl]thiophene-3-carboxamide
CID 25138007
1-(5-Phenyl-3-(phenylcarbamoyl)thiophen-2-yl)urea
CID 9923895
2-(Carbamoylamino)-5-(2-{3-[2-(dimethylamino)acetamido]phenyl}ethynyl)thiophene-3-carboxamide
CID 25138005
methyl N-{2-[(3-{2-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]ethynyl}phenyl)carbamoyl]ethyl}carbamate
CID 25138006
2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide
CID 947379
N-({[4-(benzoylamino)phenyl]amino}carbonothioyl)-2-thiophenecarboxamide
CID 1348646
6-Methyl-N-(3-methylphenyl)-2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2854336

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide (CID 56670206) is N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide is CC(=O)c1cc(C#Cc2cccc(NC(=O)c3ccsc3)c2)sc1NC(N)=O.
What is the InChIKey of N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide?
The InChIKey is UAPQRNCGLGJDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S2/c1-12(24)17-10-16(28-19(17)23-20(21)26)6-5-13-3-2-4-15(9-13)22-18(25)14-7-8-27-11-14/h2-4,7-11H,1H3,(H,22,25)(H3,21,23,26).
What are the key properties of N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide?
N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-acetyl-5-(carbamoylamino)thiophen-2-yl]ethynyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 56670206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).