N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide

C14H12F2N2O2S — CID 17499617

IUPACN-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2O2S/c15-10-1-2-12(11(16)7-10)18-13(19)3-5-17-14(20)9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,20)(H,18,19)
InChIKeyNJVSKYNEUXMOJV-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.78
Rot. Bonds5

About N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide

N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 17499617) has the molecular formula C14H12F2N2O2S and a molecular weight of 310.32 g/mol. Its IUPAC name is N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID17499617
Molecular FormulaC14H12F2N2O2S
Molecular Weight310.32 g/mol
Exact Mass310.06
IUPAC NameN-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2O2S/c15-10-1-2-12(11(16)7-10)18-13(19)3-5-17-14(20)9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,20)(H,18,19)
InChIKeyNJVSKYNEUXMOJV-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[3-(2,4-difluoroanilino)-3-oxopropyl]furan-3-carboxamide
CID 38764774
N-[3-oxo-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propyl]thiophene-3-carboxamide
CID 27813046
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 39166512
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
N-[4-fluoro-2-[4-(thiophene-3-carbonylamino)butanoylamino]phenyl]pyridine-2-carboxamide
CID 55833499
N-[3-(5-tert-butyl-2-hydroxyanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 29265430
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[3-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 120882995
N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191676
(2,4-difluorophenyl)methyl 4-(thiophene-3-carbonylamino)butanoate
CID 166217693

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide (CID 17499617) is N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)Nc1ccc(F)cc1F.
What is the InChIKey of N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is NJVSKYNEUXMOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2S/c15-10-1-2-12(11(16)7-10)18-13(19)3-5-17-14(20)9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 17499617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).