4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H17FN2O2S — CID 75425518

IUPAC4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C16H17FN2O2S/c1-9(15(20)18-3)19-16(21)14-8-13(10(2)22-14)11-4-6-12(17)7-5-11/h4-9H,1-3H3,(H,18,20)(H,19,21)/t9-/m1/s1
InChIKeyZDLYRFIJNFGIHJ-SECBINFHSA-N
MW320.39 g/mol
LogP2.73
Rot. Bonds4

About 4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide

4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 75425518) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID75425518
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C16H17FN2O2S/c1-9(15(20)18-3)19-16(21)14-8-13(10(2)22-14)11-4-6-12(17)7-5-11/h4-9H,1-3H3,(H,18,20)(H,19,21)/t9-/m1/s1
InChIKeyZDLYRFIJNFGIHJ-SECBINFHSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 75425518) is 4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is CNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ZDLYRFIJNFGIHJ-SECBINFHSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-9(15(20)18-3)19-16(21)14-8-13(10(2)22-14)11-4-6-12(17)7-5-11/h4-9H,1-3H3,(H,18,20)(H,19,21)/t9-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide?
4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 75425518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).