N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C21H21N3O4S — CID 31306387

IUPACN-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1
InChIInChI=1S/C21H21N3O4S/c1-3-24(4-2)21(27)14-7-5-8-15(13-14)22-20(26)17-10-11-18(29-17)23-19(25)16-9-6-12-28-16/h5-13H,3-4H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyCOGVPVDVBCDQMI-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.33
Rot. Bonds7

About N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 31306387) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID31306387
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1
InChIInChI=1S/C21H21N3O4S/c1-3-24(4-2)21(27)14-7-5-8-15(13-14)22-20(26)17-10-11-18(29-17)23-19(25)16-9-6-12-28-16/h5-13H,3-4H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyCOGVPVDVBCDQMI-UHFFFAOYSA-N
XLogP4.33
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[ethyl(oxolan-3-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51090912
N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 86835443
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55535244
N-[5-[ethyl(thiophen-2-ylmethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33032895
N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55368088
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-[5-[2-(N-ethyl-3-methylanilino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55516916
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-[3-(diethylcarbamoyl)phenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 51246740
N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55591959

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 31306387) is N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)c1.
What is the InChIKey of N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is COGVPVDVBCDQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-3-24(4-2)21(27)14-7-5-8-15(13-14)22-20(26)17-10-11-18(29-17)23-19(25)16-9-6-12-28-16/h5-13H,3-4H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31306387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).