N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

C19H16N2O4S — CID 86835443

IUPACN-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1
InChIInChI=1S/C19H16N2O4S/c1-2-10-24-14-6-3-5-13(12-14)20-19(23)16-8-9-17(26-16)21-18(22)15-7-4-11-25-15/h2-9,11-12H,1,10H2,(H,20,23)(H,21,22)
InChIKeyXMBAGWFIVNFDTN-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.41
Rot. Bonds7

About N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 86835443) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID86835443
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESC=CCOc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1
InChIInChI=1S/C19H16N2O4S/c1-2-10-24-14-6-3-5-13(12-14)20-19(23)16-8-9-17(26-16)21-18(22)15-7-4-11-25-15/h2-9,11-12H,1,10H2,(H,20,23)(H,21,22)
InChIKeyXMBAGWFIVNFDTN-UHFFFAOYSA-N
XLogP4.41
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 26169104
N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31306387
N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
N-[5-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33373925
N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31306841
N-[5-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31315172
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-(2-pyridin-3-ylethoxy)phenyl]furan-2-carboxamide
CID 75457531
N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 134024197

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 86835443) is N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is C=CCOc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1.
What is the InChIKey of N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is XMBAGWFIVNFDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-2-10-24-14-6-3-5-13(12-14)20-19(23)16-8-9-17(26-16)21-18(22)15-7-4-11-25-15/h2-9,11-12H,1,10H2,(H,20,23)(H,21,22).
What are the key properties of N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86835443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).