N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide

C24H24FNO2S — CID 42461386

IUPACN-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc(OCCc3ccc(F)cc3)cc2)C2CC2)s1
InChIInChI=1S/C24H24FNO2S/c1-17-2-13-23(29-17)24(27)26(21-9-10-21)16-19-5-11-22(12-6-19)28-15-14-18-3-7-20(25)8-4-18/h2-8,11-13,21H,9-10,14-16H2,1H3
InChIKeyZSICTLQHRQQTKE-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.62
Rot. Bonds8

About N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide

N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 42461386) has the molecular formula C24H24FNO2S and a molecular weight of 409.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID42461386
Molecular FormulaC24H24FNO2S
Molecular Weight409.53 g/mol
Exact Mass409.15
IUPAC NameN-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc(OCCc3ccc(F)cc3)cc2)C2CC2)s1
InChIInChI=1S/C24H24FNO2S/c1-17-2-13-23(29-17)24(27)26(21-9-10-21)16-19-5-11-22(12-6-19)28-15-14-18-3-7-20(25)8-4-18/h2-8,11-13,21H,9-10,14-16H2,1H3
InChIKeyZSICTLQHRQQTKE-UHFFFAOYSA-N
XLogP5.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
CID 78814368
N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide
CID 26275149
5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18164963
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37362690
N-cyclopropyl-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 25290549
N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33353552
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 78814308
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-cyclopropyl-1-[(4-fluorophenyl)methyl]urea
CID 52658460
5-methyl-N-[(3S)-2-oxoazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide
CID 42440843
N-cyclopropyl-2-(4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 78813870

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide (CID 42461386) is N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N(Cc2ccc(OCCc3ccc(F)cc3)cc2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is ZSICTLQHRQQTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2S/c1-17-2-13-23(29-17)24(27)26(21-9-10-21)16-19-5-11-22(12-6-19)28-15-14-18-3-7-20(25)8-4-18/h2-8,11-13,21H,9-10,14-16H2,1H3.
What are the key properties of N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide?
N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 42461386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).