4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide

C21H20N2O3S — CID 1015549

IUPAC4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)COc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1C
InChIInChI=1S/C21H20N2O3S/c1-13-14(2)27-21(19(13)20(22)25)23-18(24)12-26-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,22,25)(H,23,24)
InChIKeyAHRPMVDZNPLQMJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.15
Rot. Bonds6

About 4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide

4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide (PubChem CID 1015549) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
PubChem CID1015549
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)COc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1C
InChIInChI=1S/C21H20N2O3S/c1-13-14(2)27-21(19(13)20(22)25)23-18(24)12-26-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,22,25)(H,23,24)
InChIKeyAHRPMVDZNPLQMJ-UHFFFAOYSA-N
XLogP4.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4960663
4,5-dimethyl-2-[(2-phenoxyacetyl)carbamothioylamino]thiophene-3-carboxamide
CID 4629422
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 56501423
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692626
methyl 4,5-dimethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2506792
ethyl 4,5-dimethyl-2-[(2-naphthalen-2-yloxyacetyl)amino]thiophene-3-carboxylate
CID 5071821
ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 7521258
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide
CID 10714147
2-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 4659091
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 969209
2-[[2-(4-chlorophenoxy)acetyl]amino]-N,4,5-trimethylthiophene-3-carboxamide
CID 7520955

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide (CID 1015549) is 4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide is Cc1sc(NC(=O)COc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is AHRPMVDZNPLQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-14(2)27-21(19(13)20(22)25)23-18(24)12-26-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,22,25)(H,23,24).
What are the key properties of 4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide?
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 1015549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).