N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide

C26H23N3O2S — CID 141480922

IUPACN-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide
SMILESCCc1cccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2-c2ccsc2)c1
InChIInChI=1S/C26H23N3O2S/c1-2-18-7-6-10-21(15-18)28-26(31)29-24-16-22(11-12-23(24)20-13-14-32-17-20)27-25(30)19-8-4-3-5-9-19/h3-17H,2H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyNQKOQOAIFCVHMK-UHFFFAOYSA-N
MW441.56 g/mol
LogP6.87
Rot. Bonds6

About N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide

N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide (PubChem CID 141480922) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide
PubChem CID141480922
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC NameN-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide
SMILESCCc1cccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2-c2ccsc2)c1
InChIInChI=1S/C26H23N3O2S/c1-2-18-7-6-10-21(15-18)28-26(31)29-24-16-22(11-12-23(24)20-13-14-32-17-20)27-25(30)19-8-4-3-5-9-19/h3-17H,2H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyNQKOQOAIFCVHMK-UHFFFAOYSA-N
XLogP6.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 56.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-hydroxyphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide
CID 141480933
1-(5-benzylsulfonyl-2-thiophen-3-ylphenyl)-3-(3,4-dimethylphenyl)urea
CID 159015703
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
N-(3-ethylphenyl)-3-phenoxybenzamide
CID 7935232
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
N-(3-ethylphenyl)-3-iodobenzamide
CID 2591482
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
ethyl 3-[3-[[2-[(4-thiophen-3-ylbenzoyl)amino]benzoyl]amino]phenyl]propanoate
CID 138491051
N-(4-ethylphenyl)benzamide
CID 774063
N-(3-ethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 27285951

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide?
The IUPAC name of N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide (CID 141480922) is N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide.
What is the SMILES notation for N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide?
The canonical SMILES for N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide is CCc1cccc(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2-c2ccsc2)c1.
What is the InChIKey of N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide?
The InChIKey is NQKOQOAIFCVHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-2-18-7-6-10-21(15-18)28-26(31)29-24-16-22(11-12-23(24)20-13-14-32-17-20)27-25(30)19-8-4-3-5-9-19/h3-17H,2H2,1H3,(H,27,30)(H2,28,29,31).
What are the key properties of N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide?
N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide has a molecular weight of 441.56 g/mol, XLogP of 6.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-ethylphenyl)carbamoylamino]-4-thiophen-3-ylphenyl]benzamide is sourced from PubChem (CID 141480922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).