N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide

C20H20N2O3S — CID 1291670

IUPACN-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)c3cc(C)oc3C)c2C(N)=O)c1
InChIInChI=1S/C20H20N2O3S/c1-10-5-6-11(2)14(7-10)16-9-26-20(17(16)18(21)23)22-19(24)15-8-12(3)25-13(15)4/h5-9H,1-4H3,(H2,21,23)(H,22,24)
InChIKeyKPGKROSDQLDYFX-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.59
Rot. Bonds4

About N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide

N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 1291670) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID1291670
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)c3cc(C)oc3C)c2C(N)=O)c1
InChIInChI=1S/C20H20N2O3S/c1-10-5-6-11(2)14(7-10)16-9-26-20(17(16)18(21)23)22-19(24)15-8-12(3)25-13(15)4/h5-9H,1-4H3,(H2,21,23)(H,22,24)
InChIKeyKPGKROSDQLDYFX-UHFFFAOYSA-N
XLogP4.59
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-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

N-[3-(aminocarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methyl-3-furamide
CID 2862590
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 868846
N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylfuran-3-carboxamide
CID 2933560
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-methylfuran-3-carboxamide
CID 868903
(E)-2-(3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 874463
N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-methyl-3-furancarboxamide
CID 1245035
Methyl 4,5-dimethyl-2-(3-(5-methylfuran-2-yl)propanamido)thiophene-3-carboxylate
CID 2237100
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylfuran-3-carboxamide
CID 2862413
N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 4788121
Methyl 2-{[3-(5-ethylfuran-2-yl)propanoyl]amino}-4,5-dimethylthiophene-3-carboxylate
CID 943691
Isopropyl 4-(2,5-dimethylphenyl)-2-[(2-methyl-3-furoyl)amino]thiophene-3-carboxylate
CID 1009035
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 844406

Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide (CID 1291670) is N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide is Cc1ccc(C)c(-c2csc(NC(=O)c3cc(C)oc3C)c2C(N)=O)c1.
What is the InChIKey of N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is KPGKROSDQLDYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-10-5-6-11(2)14(7-10)16-9-26-20(17(16)18(21)23)22-19(24)15-8-12(3)25-13(15)4/h5-9H,1-4H3,(H2,21,23)(H,22,24).
What are the key properties of N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide?
N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-4-(2,5-dimethylphenyl)thiophen-2-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 1291670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).