N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

C20H20N2O3S — CID 31301485

IUPACN-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C20H20N2O3S/c1-20(2,3)13-6-8-14(9-7-13)21-19(24)16-10-11-17(26-16)22-18(23)15-5-4-12-25-15/h4-12H,1-3H3,(H,21,24)(H,22,23)
InChIKeyAFQOEONKRYVRGS-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.14
Rot. Bonds4

About N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 31301485) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID31301485
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C20H20N2O3S/c1-20(2,3)13-6-8-14(9-7-13)21-19(24)16-10-11-17(26-16)22-18(23)15-5-4-12-25-15/h4-12H,1-3H3,(H,21,24)(H,22,23)
InChIKeyAFQOEONKRYVRGS-UHFFFAOYSA-N
XLogP5.14
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 134024197
N-[5-[[2-(methylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34756176
N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55509586
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 134024119
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide
CID 43624586
N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60556284
N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31306387
N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31306841
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 31301485) is N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1.
What is the InChIKey of N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is AFQOEONKRYVRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-20(2,3)13-6-8-14(9-7-13)21-19(24)16-10-11-17(26-16)22-18(23)15-5-4-12-25-15/h4-12H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31301485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).