N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide

C18H18N2O3S — CID 70985465

IUPACN-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide
SMILESCCCc1sc(NC(=O)c2cc3ccccc3o2)c(C(N)=O)c1C
InChIInChI=1S/C18H18N2O3S/c1-3-6-14-10(2)15(16(19)21)18(24-14)20-17(22)13-9-11-7-4-5-8-12(11)23-13/h4-5,7-9H,3,6H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyFTZUZRULZKVTFD-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.11
Rot. Bonds5

About N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide

N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 70985465) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide
PubChem CID70985465
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide
SMILESCCCc1sc(NC(=O)c2cc3ccccc3o2)c(C(N)=O)c1C
InChIInChI=1S/C18H18N2O3S/c1-3-6-14-10(2)15(16(19)21)18(24-14)20-17(22)13-9-11-7-4-5-8-12(11)23-13/h4-5,7-9H,3,6H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyFTZUZRULZKVTFD-UHFFFAOYSA-N
XLogP4.11
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate
CID 8718221
N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
CID 122157547
ethyl 2-(1-benzofuran-2-carbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44915970
methyl 2-(1-benzofuran-2-carbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 8717838
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
diethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 599310
2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid
CID 1016213
2-[[4-(aminomethyl)benzoyl]amino]-4-methyl-5-propylthiophene-3-carboxylic acid
CID 151025122
ethyl 2-[(3-bromobenzoyl)amino]-4-methyl-5-propylthiophene-3-carboxylate
CID 1106424
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
ethyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 19241021

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide (CID 70985465) is N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide is CCCc1sc(NC(=O)c2cc3ccccc3o2)c(C(N)=O)c1C.
What is the InChIKey of N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is FTZUZRULZKVTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-6-14-10(2)15(16(19)21)18(24-14)20-17(22)13-9-11-7-4-5-8-12(11)23-13/h4-5,7-9H,3,6H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide?
N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70985465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).