5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide

C21H20FNO3S2 — CID 56500906

IUPAC5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H20FNO3S2/c1-14(2)23(17-8-10-18(11-9-17)28(3,25)26)21(24)20-13-12-19(27-20)15-4-6-16(22)7-5-15/h4-14H,1-3H3
InChIKeyFWFFLFOPNIDJJE-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.01
Rot. Bonds5

About 5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide

5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 56500906) has the molecular formula C21H20FNO3S2 and a molecular weight of 417.53 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID56500906
Molecular FormulaC21H20FNO3S2
Molecular Weight417.53 g/mol
Exact Mass417.09
IUPAC Name5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H20FNO3S2/c1-14(2)23(17-8-10-18(11-9-17)28(3,25)26)21(24)20-13-12-19(27-20)15-4-6-16(22)7-5-15/h4-14H,1-3H3
InChIKeyFWFFLFOPNIDJJE-UHFFFAOYSA-N
XLogP5.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 56517770
2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 54094069
N-(2-chloro-5-methylsulfonylphenyl)-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9207037
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide
CID 24554163
5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 111695059
5-(3-methylsulfonylphenyl)thiophene-2-carboxylic acid
CID 53486055
5-(4-fluorophenyl)-N-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 34438299
(1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192454
N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30378979
5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 38633334
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide (CID 56500906) is 5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(C(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is FWFFLFOPNIDJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S2/c1-14(2)23(17-8-10-18(11-9-17)28(3,25)26)21(24)20-13-12-19(27-20)15-4-6-16(22)7-5-15/h4-14H,1-3H3.
What are the key properties of 5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide?
5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 56500906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).