N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide

C24H24FNO3S — CID 26275149

IUPACN-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2ccc(C)s2)C2CC2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C24H24FNO3S/c1-16-3-12-23(30-16)24(27)26(20-9-10-20)14-18-6-11-21(22(13-18)28-2)29-15-17-4-7-19(25)8-5-17/h3-8,11-13,20H,9-10,14-15H2,1-2H3
InChIKeyYHFMBMUECONZAN-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.59
Rot. Bonds8

About N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide

N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 26275149) has the molecular formula C24H24FNO3S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID26275149
Molecular FormulaC24H24FNO3S
Molecular Weight425.53 g/mol
Exact Mass425.15
IUPAC NameN-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2ccc(C)s2)C2CC2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C24H24FNO3S/c1-16-3-12-23(30-16)24(27)26(20-9-10-20)14-18-6-11-21(22(13-18)28-2)29-15-17-4-7-19(25)8-5-17/h3-8,11-13,20H,9-10,14-15H2,1-2H3
InChIKeyYHFMBMUECONZAN-UHFFFAOYSA-N
XLogP5.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
CID 78814368
N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 42461386
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
N-cyclopropyl-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 25290549
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18164963
N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-5-methyl-N-[(3S)-2-oxoazepan-3-yl]thiophene-2-carboxamide
CID 26346233
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 3155743
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
CID 16606789
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 32590507

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide (CID 26275149) is N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide is COc1cc(CN(C(=O)c2ccc(C)s2)C2CC2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is YHFMBMUECONZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3S/c1-16-3-12-23(30-16)24(27)26(20-9-10-20)14-18-6-11-21(22(13-18)28-2)29-15-17-4-7-19(25)8-5-17/h3-8,11-13,20H,9-10,14-15H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide?
N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 26275149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).