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

C23H23FN2O2S — CID 52804465

IUPAC5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C23H23FN2O2S/c1-14(2)13-25-22(27)16-8-9-19(15(3)12-16)26-23(28)21-11-10-20(29-21)17-6-4-5-7-18(17)24/h4-12,14H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyMSSOKUVHAJOXSH-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.50
Rot. Bonds6

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

5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 52804465) has the molecular formula C23H23FN2O2S and a molecular weight of 410.51 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID52804465
Molecular FormulaC23H23FN2O2S
Molecular Weight410.51 g/mol
Exact Mass410.15
IUPAC Name5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C23H23FN2O2S/c1-14(2)13-25-22(27)16-8-9-19(15(3)12-16)26-23(28)21-11-10-20(29-21)17-6-4-5-7-18(17)24/h4-12,14H,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyMSSOKUVHAJOXSH-UHFFFAOYSA-N
XLogP5.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 55615367
4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 60606761
N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide
CID 38504188
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide
CID 10335977
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 49340132
3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 122159202
4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49340250
4-[(3-chloro-2-hydroxypropyl)amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 168637114
5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 86821543

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 52804465) is 5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(-c2ccccc2F)s1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is MSSOKUVHAJOXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2S/c1-14(2)13-25-22(27)16-8-9-19(15(3)12-16)26-23(28)21-11-10-20(29-21)17-6-4-5-7-18(17)24/h4-12,14H,13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide?
5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 52804465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).