N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide

C14H13FN2O2S — CID 17499765

IUPACN-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN2O2S/c15-10-3-1-4-11(9-10)17-13(18)6-7-16-14(19)12-5-2-8-20-12/h1-5,8-9H,6-7H2,(H,16,19)(H,17,18)
InChIKeyBRCILZWWTFPYAU-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.65
Rot. Bonds5

About N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 17499765) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID17499765
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC NameN-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN2O2S/c15-10-3-1-4-11(9-10)17-13(18)6-7-16-14(19)12-5-2-8-20-12/h1-5,8-9H,6-7H2,(H,16,19)(H,17,18)
InChIKeyBRCILZWWTFPYAU-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-[(3-fluorophenoxy)methyl]anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 38614236
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497876
N-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 31521034
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
(2R)-2-bromo-N-[3-(3-fluoroanilino)-3-oxopropyl]butanamide
CID 40803233
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[4-(3-ethynylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 51337792
N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499621
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 17499765) is N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1cccc(F)c1.
What is the InChIKey of N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is BRCILZWWTFPYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-10-3-1-4-11(9-10)17-13(18)6-7-16-14(19)12-5-2-8-20-12/h1-5,8-9H,6-7H2,(H,16,19)(H,17,18).
What are the key properties of N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 17499765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).