N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide

C13H14N2O3S — CID 844406

IUPACN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C13H14N2O3S/c1-6-8(3)19-13(10(6)11(14)16)15-12(17)9-4-5-18-7(9)2/h4-5H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyHTDOUMYNWZEHOP-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.62
Rot. Bonds3

About N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide

N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide (PubChem CID 844406) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide
PubChem CID844406
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C13H14N2O3S/c1-6-8(3)19-13(10(6)11(14)16)15-12(17)9-4-5-18-7(9)2/h4-5H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyHTDOUMYNWZEHOP-UHFFFAOYSA-N
XLogP2.62
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide
CID 673534
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
Isopropyl 2-{[3-(2-furyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 897188
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
2-(3-(Furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 667885
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
(E)-ethyl 2-(3-(furan-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate
CID 722201
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

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide (CID 844406) is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1sc(C)c(C)c1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide?
The InChIKey is HTDOUMYNWZEHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-6-8(3)19-13(10(6)11(14)16)15-12(17)9-4-5-18-7(9)2/h4-5H,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide?
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 844406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).