5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid

C15H16N2O5S — CID 119186184

IUPAC5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid
SMILESCc1ccoc1C(=O)NCCCNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C15H16N2O5S/c1-9-5-8-22-12(9)14(19)17-7-2-6-16-13(18)10-3-4-11(23-10)15(20)21/h3-5,8H,2,6-7H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyNVYWOVRUHRIMJU-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.90
Rot. Bonds7

About 5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid

5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 119186184) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID119186184
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid
SMILESCc1ccoc1C(=O)NCCCNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C15H16N2O5S/c1-9-5-8-22-12(9)14(19)17-7-2-6-16-13(18)10-3-4-11(23-10)15(20)21/h3-5,8H,2,6-7H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyNVYWOVRUHRIMJU-UHFFFAOYSA-N
XLogP1.90
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid 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-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119331995
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
CID 111439289
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 120501389
5-(hex-5-ynylcarbamoyl)thiophene-2-carboxylic acid
CID 106216658
3-methyl-N-[3-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]propyl]furan-2-carboxamide
CID 111773264
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838
N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
CID 106307161
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119332014
N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119951886

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid (CID 119186184) is 5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid is Cc1ccoc1C(=O)NCCCNC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is NVYWOVRUHRIMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-9-5-8-22-12(9)14(19)17-7-2-6-16-13(18)10-3-4-11(23-10)15(20)21/h3-5,8H,2,6-7H2,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid?
5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 336.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119186184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).