2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate

C23H29NO5S — CID 70964551

IUPAC2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
SMILESCC(C)(C)c1ccc(N2C(=O)CC[C@H]2COCc2ccc(C(=O)OCCO)s2)cc1
InChIInChI=1S/C23H29NO5S/c1-23(2,3)16-4-6-17(7-5-16)24-18(8-11-21(24)26)14-28-15-19-9-10-20(30-19)22(27)29-13-12-25/h4-7,9-10,18,25H,8,11-15H2,1-3H3/t18-/m0/s1
InChIKeyARWZDHYFZZFGKB-SFHVURJKSA-N
MW431.55 g/mol
LogP3.91
Rot. Bonds8

About 2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate

2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate (PubChem CID 70964551) has the molecular formula C23H29NO5S and a molecular weight of 431.55 g/mol. Its IUPAC name is 2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
PubChem CID70964551
Molecular FormulaC23H29NO5S
Molecular Weight431.55 g/mol
Exact Mass431.18
IUPAC Name2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
SMILESCC(C)(C)c1ccc(N2C(=O)CC[C@H]2COCc2ccc(C(=O)OCCO)s2)cc1
InChIInChI=1S/C23H29NO5S/c1-23(2,3)16-4-6-17(7-5-16)24-18(8-11-21(24)26)14-28-15-19-9-10-20(30-19)22(27)29-13-12-25/h4-7,9-10,18,25H,8,11-15H2,1-3H3/t18-/m0/s1
InChIKeyARWZDHYFZZFGKB-SFHVURJKSA-N
XLogP3.91
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[1-[4-[(4-methoxyphenyl)methoxymethyl]phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
CID 70667388
5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]furan-2-carboxylic acid
CID 24821537
5-[[1-(4-tert-butyl-2-nitrophenyl)-6-oxopiperidin-2-yl]methoxymethyl]thiophene-2-carboxylate
CID 24767916
5-[[1-[4-(1-hydroxyhexyl)phenyl]-6-oxopiperidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid
CID 74109136
propyl 5-[3-[(2R)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CID 70660624
methyl 5-[3-[(2R)-1-[4-(6-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CID 69130740
propan-2-yl 5-[3-[1-[4-[(1S)-1-hydroxy-1-iodohexyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CID 67018048
propan-2-yl 5-[[(2R)-1-[(3S)-3-hydroxyoctyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate
CID 59378178
[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] 5-[3-[(2S)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CID 121266194
2-hydroxyethyl 5-[3-[(2S,3R)-3-hydroxy-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CID 44516936
1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one
CID 70667423
5-[3-[(2S)-1-[4-(7-hydroxyheptyl)phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylic acid
CID 69469081

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate (CID 70964551) is 2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate is CC(C)(C)c1ccc(N2C(=O)CC[C@H]2COCc2ccc(C(=O)OCCO)s2)cc1.
What is the InChIKey of 2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate?
The InChIKey is ARWZDHYFZZFGKB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29NO5S/c1-23(2,3)16-4-6-17(7-5-16)24-18(8-11-21(24)26)14-28-15-19-9-10-20(30-19)22(27)29-13-12-25/h4-7,9-10,18,25H,8,11-15H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate?
2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate has a molecular weight of 431.55 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 5-[[(2S)-1-(4-tert-butylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylate is sourced from PubChem (CID 70964551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).