N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide

C12H12N2O3S — CID 4788121

IUPACN-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2sccc2C(N)=O)c(C)o1
InChIInChI=1S/C12H12N2O3S/c1-6-5-9(7(2)17-6)11(16)14-12-8(10(13)15)3-4-18-12/h3-5H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyFUURRTWWSPUJTH-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.31
Rot. Bonds3

About N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide

N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 4788121) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID4788121
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2sccc2C(N)=O)c(C)o1
InChIInChI=1S/C12H12N2O3S/c1-6-5-9(7(2)17-6)11(16)14-12-8(10(13)15)3-4-18-12/h3-5H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyFUURRTWWSPUJTH-UHFFFAOYSA-N
XLogP2.31
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(aminocarbonyl)-3-methyl-5-[(2-methyl-3-furoyl)amino]thiophene-2-carboxylate
CID 903585
Methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 1246443
Ethyl 5-[(dimethylamino)carbonyl]-4-methyl-2-[(2-methyl-3-furoyl)amino]-3-thiophenecarboxylate
CID 1001290
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
Ethyl 4,5-dimethyl-2-{[3-(5-methyl-2-furyl)acryloyl]amino}-3-thiophenecarboxylate
CID 874835
Isopropyl 4,5-dimethyl-2-{[3-(5-methyl-2-furyl)acryloyl]amino}-3-thiophenecarboxylate
CID 896605
Ethyl 2-(3-(5-ethylfuran-2-yl)propanamido)-4,5-dimethylthiophene-3-carboxylate
CID 943143
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

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide (CID 4788121) is N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2sccc2C(N)=O)c(C)o1.
What is the InChIKey of N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FUURRTWWSPUJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-6-5-9(7(2)17-6)11(16)14-12-8(10(13)15)3-4-18-12/h3-5H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide?
N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylthiophen-2-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 4788121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).