N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide

C18H18N2O3S — CID 17173463

IUPACN-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2sc(C(C)C)cc2C(N)=O)oc2ccccc12
InChIInChI=1S/C18H18N2O3S/c1-9(2)14-8-12(16(19)21)18(24-14)20-17(22)15-10(3)11-6-4-5-7-13(11)23-15/h4-9H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyYQOONLBKKCBEHU-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.28
Rot. Bonds4

About N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide

N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 17173463) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID17173463
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2sc(C(C)C)cc2C(N)=O)oc2ccccc12
InChIInChI=1S/C18H18N2O3S/c1-9(2)14-8-12(16(19)21)18(24-14)20-17(22)15-10(3)11-6-4-5-7-13(11)23-15/h4-9H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyYQOONLBKKCBEHU-UHFFFAOYSA-N
XLogP4.28
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-Methylfuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 675357
6-Methyl-2-[(5-methyl-2-furoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 3534903
N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 7190235
Isopropyl 2-(2-furoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 673536
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
CID 667938
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-benzofuran-2-carboxamide
CID 2439735
N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 2675152
2-[(5-methyl-2-furoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 675358
Methyl 2-(2-furoylamino)-4-phenyl-3-thiophenecarboxylate
CID 703868
N-(3-carbamoyl-5-propylthiophen-2-yl)furan-2-carboxamide
CID 1244061
N-(5-benzyl-3-carbamoylthiophen-2-yl)furan-2-carboxamide
CID 1245872
N-(2-furylmethyl)-2-[(2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1329150

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide (CID 17173463) is N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2sc(C(C)C)cc2C(N)=O)oc2ccccc12.
What is the InChIKey of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is YQOONLBKKCBEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-9(2)14-8-12(16(19)21)18(24-14)20-17(22)15-10(3)11-6-4-5-7-13(11)23-15/h4-9H,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17173463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).