2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate

C18H22N2O3S — CID 4164579

IUPAC2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-20(4-2)11-12-23-18(22)14-7-9-15(10-8-14)19-17(21)16-6-5-13-24-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyOXCGXXXRSQRTRD-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.50
Rot. Bonds8

About 2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate

2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate (PubChem CID 4164579) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate
PubChem CID4164579
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-20(4-2)11-12-23-18(22)14-7-9-15(10-8-14)19-17(21)16-6-5-13-24-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyOXCGXXXRSQRTRD-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(diethylamino)ethyl 2-chloro-4-(thiophene-2-carbonylamino)benzoate
CID 56694659
2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate
CID 9441875
2-(diethylamino)ethyl 4-[[3-[4-[2-(diethylamino)ethoxycarbonyl]anilino]-3-oxopropanoyl]amino]benzoate
CID 26846
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815212
2-methylprop-2-enyl 4-(thiophene-2-carbonylamino)benzoate
CID 18122532
prop-2-ynyl 4-(thiophene-2-carbonylamino)benzoate
CID 47110953
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]thiophene-2-carboxamide
CID 22459278
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 30118695
2-(diethylamino)ethyl 4-[(4-methylthiadiazole-5-carbonyl)amino]benzoate
CID 21008218
[2-(4-bromophenyl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029130
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate (CID 4164579) is 2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate is CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate?
The InChIKey is OXCGXXXRSQRTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-20(4-2)11-12-23-18(22)14-7-9-15(10-8-14)19-17(21)16-6-5-13-24-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate?
2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate has a molecular weight of 346.45 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 4164579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).