N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide

C20H18FNO4S — CID 58356257

IUPACN-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)oc2ccc(S(=O)(=O)Cc3ccc(F)cc3)cc12
InChIInChI=1S/C20H18FNO4S/c1-12-17-10-16(27(24,25)11-13-2-4-14(21)5-3-13)8-9-18(17)26-19(12)20(23)22-15-6-7-15/h2-5,8-10,15H,6-7,11H2,1H3,(H,22,23)
InChIKeyCTXIRPQOUXVSND-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.75
Rot. Bonds5

About N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide

N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 58356257) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID58356257
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC NameN-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)oc2ccc(S(=O)(=O)Cc3ccc(F)cc3)cc12
InChIInChI=1S/C20H18FNO4S/c1-12-17-10-16(27(24,25)11-13-2-4-14(21)5-3-13)8-9-18(17)26-19(12)20(23)22-15-6-7-15/h2-5,8-10,15H,6-7,11H2,1H3,(H,22,23)
InChIKeyCTXIRPQOUXVSND-UHFFFAOYSA-N
XLogP3.75
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55428292
N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967860
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530
5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 3947407
N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103774296
N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4526754
5-fluoro-3-methyl-N'-(4-methylsulfonylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 34966522
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55613510

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide (CID 58356257) is N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CC2)oc2ccc(S(=O)(=O)Cc3ccc(F)cc3)cc12.
What is the InChIKey of N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is CTXIRPQOUXVSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-12-17-10-16(27(24,25)11-13-2-4-14(21)5-3-13)8-9-18(17)26-19(12)20(23)22-15-6-7-15/h2-5,8-10,15H,6-7,11H2,1H3,(H,22,23).
What are the key properties of N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide?
N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 58356257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).