2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide

C24H26N2O4S — CID 112827264

IUPAC2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
SMILESCc1ccc(C(O)CNC(=O)c2ccc(C(=O)NCC(O)c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C24H26N2O4S/c1-15-3-7-17(8-4-15)19(27)13-25-23(29)21-11-12-22(31-21)24(30)26-14-20(28)18-9-5-16(2)6-10-18/h3-12,19-20,27-28H,13-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyVDOQNXRGPSYUIO-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.29
Rot. Bonds8

About 2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide

2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide (PubChem CID 112827264) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
PubChem CID112827264
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
SMILESCc1ccc(C(O)CNC(=O)c2ccc(C(=O)NCC(O)c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C24H26N2O4S/c1-15-3-7-17(8-4-15)19(27)13-25-23(29)21-11-12-22(31-21)24(30)26-14-20(28)18-9-5-16(2)6-10-18/h3-12,19-20,27-28H,13-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyVDOQNXRGPSYUIO-UHFFFAOYSA-N
XLogP3.29
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 43461437
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 138023195
(2R)-2-amino-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119293211
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide
CID 86981673
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977087
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 86980953
5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide
CID 95771032
(Z)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide
CID 110025845

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide (CID 112827264) is 2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide is Cc1ccc(C(O)CNC(=O)c2ccc(C(=O)NCC(O)c3ccc(C)cc3)s2)cc1.
What is the InChIKey of 2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide?
The InChIKey is VDOQNXRGPSYUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-15-3-7-17(8-4-15)19(27)13-25-23(29)21-11-12-22(31-21)24(30)26-14-20(28)18-9-5-16(2)6-10-18/h3-12,19-20,27-28H,13-14H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide?
2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.29, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 112827264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).