N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide

C21H18N2O2S — CID 31520708

IUPACN-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C21H18N2O2S/c1-15-7-9-16(10-8-15)11-12-20(24)22-17-4-2-5-18(14-17)23-21(25)19-6-3-13-26-19/h2-14H,1H3,(H,22,24)(H,23,25)/b12-11+
InChIKeyLYGBIQAMBFFPRO-VAWYXSNFSA-N
MW362.45 g/mol
LogP4.96
Rot. Bonds5

About N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 31520708) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID31520708
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C21H18N2O2S/c1-15-7-9-16(10-8-15)11-12-20(24)22-17-4-2-5-18(14-17)23-21(25)19-6-3-13-26-19/h2-14H,1H3,(H,22,24)(H,23,25)/b12-11+
InChIKeyLYGBIQAMBFFPRO-VAWYXSNFSA-N
XLogP4.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 1315625
N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520599
N-[3-[[(E)-3-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 38973808
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 917715
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17232322
N-[3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31516122
N-[3-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]phenyl]thiophene-2-carboxamide
CID 4655342
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide
CID 26161245
N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 26158897
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide (CID 31520708) is N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide is Cc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1.
What is the InChIKey of N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is LYGBIQAMBFFPRO-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-15-7-9-16(10-8-15)11-12-20(24)22-17-4-2-5-18(14-17)23-21(25)19-6-3-13-26-19/h2-14H,1H3,(H,22,24)(H,23,25)/b12-11+.
What are the key properties of N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31520708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).