N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide

C14H18N2O2S — CID 78803647

IUPACN-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESC=CCN(CC=C)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C14H18N2O2S/c1-3-8-16(9-4-2)13(17)5-7-15-14(18)12-6-10-19-11-12/h3-4,6,10-11H,1-2,5,7-9H2,(H,15,18)
InChIKeyCMUKUNTYKBPAAZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.07
Rot. Bonds8

About N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 78803647) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID78803647
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESC=CCN(CC=C)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C14H18N2O2S/c1-3-8-16(9-4-2)13(17)5-7-15-14(18)12-6-10-19-11-12/h3-4,6,10-11H,1-2,5,7-9H2,(H,15,18)
InChIKeyCMUKUNTYKBPAAZ-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]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-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 115772753
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022
methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate
CID 61224315
3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid
CID 60844519
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18163378
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 120648959

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 78803647) is N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide is C=CCN(CC=C)C(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is CMUKUNTYKBPAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-8-16(9-4-2)13(17)5-7-15-14(18)12-6-10-19-11-12/h3-4,6,10-11H,1-2,5,7-9H2,(H,15,18).
What are the key properties of N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 78803647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).