N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide

C22H20N2O3S — CID 9415618

IUPACN-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)/C=C/c3sccc3C)cc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-15-13-14-28-20(15)11-12-21(25)23-17-5-3-16(4-6-17)22(26)24-18-7-9-19(27-2)10-8-18/h3-14H,1-2H3,(H,23,25)(H,24,26)/b12-11+
InChIKeyLYFAOIANLGSVHR-VAWYXSNFSA-N
MW392.48 g/mol
LogP4.97
Rot. Bonds6

About N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide

N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide (PubChem CID 9415618) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide
PubChem CID9415618
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)/C=C/c3sccc3C)cc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-15-13-14-28-20(15)11-12-21(25)23-17-5-3-16(4-6-17)22(26)24-18-7-9-19(27-2)10-8-18/h3-14H,1-2H3,(H,23,25)(H,24,26)/b12-11+
InChIKeyLYFAOIANLGSVHR-VAWYXSNFSA-N
XLogP4.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate
CID 26695298
4-tert-butyl-N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17235009
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
methyl 3-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]thiophene-2-carboxylate
CID 43013639
4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 16959499
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 76872160
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
CID 1068398

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide (CID 9415618) is N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)/C=C/c3sccc3C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide?
The InChIKey is LYFAOIANLGSVHR-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-15-13-14-28-20(15)11-12-21(25)23-17-5-3-16(4-6-17)22(26)24-18-7-9-19(27-2)10-8-18/h3-14H,1-2H3,(H,23,25)(H,24,26)/b12-11+.
What are the key properties of N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide?
N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide has a molecular weight of 392.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 9415618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).