2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide

C16H18N2O3S — CID 111122214

IUPAC2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)N(CCO)CCc2ccccc2)c1
InChIInChI=1S/C16H18N2O3S/c17-15(20)13-10-14(22-11-13)16(21)18(8-9-19)7-6-12-4-2-1-3-5-12/h1-5,10-11,19H,6-9H2,(H2,17,20)
InChIKeyIEVKFCKUJJCMFF-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.52
Rot. Bonds7

About 2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide

2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide (PubChem CID 111122214) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide
PubChem CID111122214
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)N(CCO)CCc2ccccc2)c1
InChIInChI=1S/C16H18N2O3S/c17-15(20)13-10-14(22-11-13)16(21)18(8-9-19)7-6-12-4-2-1-3-5-12/h1-5,10-11,19H,6-9H2,(H2,17,20)
InChIKeyIEVKFCKUJJCMFF-UHFFFAOYSA-N
XLogP1.52
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120886632
N-(2-hydroxyethyl)-N-(2-phenylethyl)thiophene-3-carboxamide
CID 111122178
2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
CID 120886240
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
N-(2-hydroxyethyl)-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide
CID 71991218
N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride
CID 120884559
2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide
CID 120886586
4-acetyl-N-(3-aminopropyl)-N-benzylthiophene-2-carboxamide
CID 120649352
N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide
CID 111122030
N-(2-hydroxyethyl)-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 111122151
5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122037
N-(2-hydroxyethyl)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 111122126

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide (CID 111122214) is 2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide is NC(=O)c1csc(C(=O)N(CCO)CCc2ccccc2)c1.
What is the InChIKey of 2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide?
The InChIKey is IEVKFCKUJJCMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c17-15(20)13-10-14(22-11-13)16(21)18(8-9-19)7-6-12-4-2-1-3-5-12/h1-5,10-11,19H,6-9H2,(H2,17,20).
What are the key properties of 2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide?
2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-hydroxyethyl)-2-N-(2-phenylethyl)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 111122214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).