N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide

C19H18N2O3S — CID 38275560

IUPACN-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C19H18N2O3S/c1-13-4-6-14(7-5-13)15-8-12-25-17(15)19(23)21-10-9-20-18(22)16-3-2-11-24-16/h2-8,11-12H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyAKJJASGLSJHUPS-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.48
Rot. Bonds6

About N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide

N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide (PubChem CID 38275560) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide
PubChem CID38275560
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C19H18N2O3S/c1-13-4-6-14(7-5-13)15-8-12-25-17(15)19(23)21-10-9-20-18(22)16-3-2-11-24-16/h2-8,11-12H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyAKJJASGLSJHUPS-UHFFFAOYSA-N
XLogP3.48
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]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

3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide
CID 9399962
N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119494952
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 51206987
2-(4-chlorophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24683000
N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24660945
N-[2-[[N,N'-dimethyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111289097
N-[2-(2-hydroxyethylamino)ethyl]furan-2-carboxamide
CID 3155965
N-[2-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111349578
N-[2-[[N-ethyl-N'-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111892535
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide (CID 38275560) is N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is AKJJASGLSJHUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-4-6-14(7-5-13)15-8-12-25-17(15)19(23)21-10-9-20-18(22)16-3-2-11-24-16/h2-8,11-12H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 38275560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).