N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide

C21H18N2O3S — CID 26813748

IUPACN-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESC=CCSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H18N2O3S/c1-2-14-27-19-8-4-3-6-17(19)23-20(24)15-9-11-16(12-10-15)22-21(25)18-7-5-13-26-18/h2-13H,1,14H2,(H,22,25)(H,23,24)
InChIKeyXMWATTRBWWBSFA-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.06
Rot. Bonds7

About N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 26813748) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID26813748
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESC=CCSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H18N2O3S/c1-2-14-27-19-8-4-3-6-17(19)23-20(24)15-9-11-16(12-10-15)22-21(25)18-7-5-13-26-18/h2-13H,1,14H2,(H,22,25)(H,23,24)
InChIKeyXMWATTRBWWBSFA-UHFFFAOYSA-N
XLogP5.06
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 33002746
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
4-bromo-3-chloro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 81296027
N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 26169104
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
3-bromo-5-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 104851985
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 26813748) is N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide is C=CCSc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is XMWATTRBWWBSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-2-14-27-19-8-4-3-6-17(19)23-20(24)15-9-11-16(12-10-15)22-21(25)18-7-5-13-26-18/h2-13H,1,14H2,(H,22,25)(H,23,24).
What are the key properties of N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-prop-2-enylsulfanylphenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 26813748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).