N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

C23H21FN2O2S — CID 33353552

IUPACN-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C2CC2)cc1
InChIInChI=1S/C23H21FN2O2S/c1-25-22(27)17-4-2-15(3-5-17)14-26(19-10-11-19)23(28)21-13-12-20(29-21)16-6-8-18(24)9-7-16/h2-9,12-13,19H,10-11,14H2,1H3,(H,25,27)
InChIKeyDRVHORQZIQNAQI-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.72
Rot. Bonds6

About N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 33353552) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID33353552
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC NameN-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C2CC2)cc1
InChIInChI=1S/C23H21FN2O2S/c1-25-22(27)17-4-2-15(3-5-17)14-26(19-10-11-19)23(28)21-13-12-20(29-21)16-6-8-18(24)9-7-16/h2-9,12-13,19H,10-11,14H2,1H3,(H,25,27)
InChIKeyDRVHORQZIQNAQI-UHFFFAOYSA-N
XLogP4.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 46565714
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
CID 78814368
5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18164963
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 33349813
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 42461386
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 38496186
N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 33351575

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide (CID 33353552) is N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide is CNC(=O)c1ccc(CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is DRVHORQZIQNAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c1-25-22(27)17-4-2-15(3-5-17)14-26(19-10-11-19)23(28)21-13-12-20(29-21)16-6-8-18(24)9-7-16/h2-9,12-13,19H,10-11,14H2,1H3,(H,25,27).
What are the key properties of N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 33353552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).