[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate

C20H24N2O4S — CID 46815212

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
SMILESCC(C)N(C(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(C)C
InChIInChI=1S/C20H24N2O4S/c1-13(2)22(14(3)4)18(23)12-26-20(25)15-7-9-16(10-8-15)21-19(24)17-6-5-11-27-17/h5-11,13-14H,12H2,1-4H3,(H,21,24)
InChIKeyQIOFFCNCTZLCKB-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.80
Rot. Bonds7

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate (PubChem CID 46815212) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
PubChem CID46815212
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
SMILESCC(C)N(C(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(C)C
InChIInChI=1S/C20H24N2O4S/c1-13(2)22(14(3)4)18(23)12-26-20(25)15-7-9-16(10-8-15)21-19(24)17-6-5-11-27-17/h5-11,13-14H,12H2,1-4H3,(H,21,24)
InChIKeyQIOFFCNCTZLCKB-UHFFFAOYSA-N
XLogP3.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylprop-2-enyl 4-(thiophene-2-carbonylamino)benzoate
CID 18122532
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 30118695
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 18202688
[2-(4-bromophenyl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029130
2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate
CID 4164579
prop-2-ynyl 4-(thiophene-2-carbonylamino)benzoate
CID 47110953
ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 43029129
2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate
CID 9441875
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30818019
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815244
methyl 4-[[2-[(2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoyl]oxyacetyl]amino]benzoate
CID 8556854

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate (CID 46815212) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate is CC(C)N(C(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate?
The InChIKey is QIOFFCNCTZLCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13(2)22(14(3)4)18(23)12-26-20(25)15-7-9-16(10-8-15)21-19(24)17-6-5-11-27-17/h5-11,13-14H,12H2,1-4H3,(H,21,24).
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate has a molecular weight of 388.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 46815212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).