N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C21H22N4O4S — CID 60556284

IUPACN-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C21H22N4O4S/c1-13(2)23-21(28)24-15-7-5-14(6-8-15)12-22-20(27)17-9-10-18(30-17)25-19(26)16-4-3-11-29-16/h3-11,13H,12H2,1-2H3,(H,22,27)(H,25,26)(H2,23,24,28)
InChIKeyMGKWPPLBZZMIED-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.05
Rot. Bonds7

About N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 60556284) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID60556284
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C21H22N4O4S/c1-13(2)23-21(28)24-15-7-5-14(6-8-15)12-22-20(27)17-9-10-18(30-17)25-19(26)16-4-3-11-29-16/h3-11,13H,12H2,1-2H3,(H,22,27)(H,25,26)(H2,23,24,28)
InChIKeyMGKWPPLBZZMIED-UHFFFAOYSA-N
XLogP4.05
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431
N-[3-oxo-3-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]propyl]furan-2-carboxamide
CID 46456452
N-[5-[(4-piperidin-1-ylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46593393
N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31309961
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[5-[(3-cyanophenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 94049859
N-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302984
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[4-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 51327731
N-[5-[1-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46512347

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 60556284) is N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1.
What is the InChIKey of N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is MGKWPPLBZZMIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-13(2)23-21(28)24-15-7-5-14(6-8-15)12-22-20(27)17-9-10-18(30-17)25-19(26)16-4-3-11-29-16/h3-11,13H,12H2,1-2H3,(H,22,27)(H,25,26)(H2,23,24,28).
What are the key properties of N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 60556284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).