2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C20H24FN3O3S — CID 1460383

IUPAC2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(Cc2ccc(F)cc2)C(=O)C(C)C)c(C(N)=O)c1C
InChIInChI=1S/C20H24FN3O3S/c1-11(2)20(27)24(9-14-5-7-15(21)8-6-14)10-16(25)23-19-17(18(22)26)12(3)13(4)28-19/h5-8,11H,9-10H2,1-4H3,(H2,22,26)(H,23,25)
InChIKeyNNBNNRPIOKVYGU-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.23
Rot. Bonds7

About 2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1460383) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID1460383
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(Cc2ccc(F)cc2)C(=O)C(C)C)c(C(N)=O)c1C
InChIInChI=1S/C20H24FN3O3S/c1-11(2)20(27)24(9-14-5-7-15(21)8-6-14)10-16(25)23-19-17(18(22)26)12(3)13(4)28-19/h5-8,11H,9-10H2,1-4H3,(H2,22,26)(H,23,25)
InChIKeyNNBNNRPIOKVYGU-UHFFFAOYSA-N
XLogP3.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 1460383) is 2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CN(Cc2ccc(F)cc2)C(=O)C(C)C)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is NNBNNRPIOKVYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-11(2)20(27)24(9-14-5-7-15(21)8-6-14)10-16(25)23-19-17(18(22)26)12(3)13(4)28-19/h5-8,11H,9-10H2,1-4H3,(H2,22,26)(H,23,25).
What are the key properties of 2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenyl)methyl-(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1460383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).