N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide

C24H23NO3S — CID 11575012

IUPACN-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide
SMILESC=C(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1cc(-c2cccs2)ccc1OC
InChIInChI=1S/C24H23NO3S/c1-15(2)24(27)25-19-10-7-17(8-11-19)23(26)16(3)20-14-18(9-12-21(20)28-4)22-6-5-13-29-22/h5-15H,3H2,1-2,4H3,(H,25,27)
InChIKeyMKIXJLKNYNAIJY-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.91
Rot. Bonds7

About N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide

N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide (PubChem CID 11575012) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide
PubChem CID11575012
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC NameN-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide
SMILESC=C(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1cc(-c2cccs2)ccc1OC
InChIInChI=1S/C24H23NO3S/c1-15(2)24(27)25-19-10-7-17(8-11-19)23(26)16(3)20-14-18(9-12-21(20)28-4)22-6-5-13-29-22/h5-15H,3H2,1-2,4H3,(H,25,27)
InChIKeyMKIXJLKNYNAIJY-UHFFFAOYSA-N
XLogP5.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxyphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one
CID 58615699
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
N-[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187934
3-(4-tert-butylphenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)prop-1-en-1-one
CID 87941456
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
2-methyl-3-(methylamino)-N-(3-thiophen-2-ylphenyl)propanamide
CID 119708574
1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone
CID 58615731

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide (CID 11575012) is N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide is C=C(C(=O)c1ccc(NC(=O)C(C)C)cc1)c1cc(-c2cccs2)ccc1OC.
What is the InChIKey of N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide?
The InChIKey is MKIXJLKNYNAIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-15(2)24(27)25-19-10-7-17(8-11-19)23(26)16(3)20-14-18(9-12-21(20)28-4)22-6-5-13-29-22/h5-15H,3H2,1-2,4H3,(H,25,27).
What are the key properties of N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide?
N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide has a molecular weight of 405.52 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 11575012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).