N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide

C23H21N5O3 — CID 55389588

IUPACN-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H21N5O3/c1-16(17-7-11-20(12-8-17)28-15-24-14-25-28)27(2)23(30)18-5-9-19(10-6-18)26-22(29)21-4-3-13-31-21/h3-16H,1-2H3,(H,26,29)
InChIKeyVNLWVWGXVRVBIC-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.95
Rot. Bonds6

About N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55389588) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55389588
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H21N5O3/c1-16(17-7-11-20(12-8-17)28-15-24-14-25-28)27(2)23(30)18-5-9-19(10-6-18)26-22(29)21-4-3-13-31-21/h3-16H,1-2H3,(H,26,29)
InChIKeyVNLWVWGXVRVBIC-UHFFFAOYSA-N
XLogP3.95
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 134054275
N,4-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9470834
methyl 4-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]benzoate
CID 9471114
4-N-methyl-4-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46613787
4-[(carbamoylamino)methyl]-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31744960
N-methyl-4-phenoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 55383558
4-cyano-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17419687
N-methyl-4-(methylsulfonylmethyl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471187
5-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]furan-3-carboxylic acid
CID 146132692
N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 46587409
3,5-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471095
3-(dimethylamino)-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 33184027

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55389588) is N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide is CC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is VNLWVWGXVRVBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-16(17-7-11-20(12-8-17)28-15-24-14-25-28)27(2)23(30)18-5-9-19(10-6-18)26-22(29)21-4-3-13-31-21/h3-16H,1-2H3,(H,26,29).
What are the key properties of N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55389588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).