N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

C16H17F2N3O3S — CID 49070793

IUPACN-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(CC(F)F)CC2)s1)c1ccco1
InChIInChI=1S/C16H17F2N3O3S/c17-13(18)10-20-5-7-21(8-6-20)16(23)12-3-4-14(25-12)19-15(22)11-2-1-9-24-11/h1-4,9,13H,5-8,10H2,(H,19,22)
InChIKeySISFCMPBXRDHAW-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.62
Rot. Bonds5

About N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 49070793) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID49070793
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC NameN-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(CC(F)F)CC2)s1)c1ccco1
InChIInChI=1S/C16H17F2N3O3S/c17-13(18)10-20-5-7-21(8-6-20)16(23)12-3-4-14(25-12)19-15(22)11-2-1-9-24-11/h1-4,9,13H,5-8,10H2,(H,19,22)
InChIKeySISFCMPBXRDHAW-UHFFFAOYSA-N
XLogP2.62
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55890673
N-[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 31314920
N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 31307900
N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 86889383
1-[5-(furan-2-carbonylamino)thiophene-2-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 55718156
N-[5-[4-(6-methylpyridazin-3-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 86941354
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 31219375
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 86935485
N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347
N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55509586

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (CID 49070793) is N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCN(CC(F)F)CC2)s1)c1ccco1.
What is the InChIKey of N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is SISFCMPBXRDHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c17-13(18)10-20-5-7-21(8-6-20)16(23)12-3-4-14(25-12)19-15(22)11-2-1-9-24-11/h1-4,9,13H,5-8,10H2,(H,19,22).
What are the key properties of N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 49070793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).