2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide

C23H31N3O4S — CID 70326411

IUPAC2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCC1CSC(N(C)C(=O)CN2CC(c3ccc(C(C)O)c(OCC4CC4)c3)CC2=O)=N1
InChIInChI=1S/C23H31N3O4S/c1-14-13-31-23(24-14)25(3)22(29)11-26-10-18(9-21(26)28)17-6-7-19(15(2)27)20(8-17)30-12-16-4-5-16/h6-8,14-16,18,27H,4-5,9-13H2,1-3H3
InChIKeyLGCIFMLKXXSOIO-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.79
Rot. Bonds7

About 2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide

2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide (PubChem CID 70326411) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
PubChem CID70326411
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCC1CSC(N(C)C(=O)CN2CC(c3ccc(C(C)O)c(OCC4CC4)c3)CC2=O)=N1
InChIInChI=1S/C23H31N3O4S/c1-14-13-31-23(24-14)25(3)22(29)11-26-10-18(9-21(26)28)17-6-7-19(15(2)27)20(8-17)30-12-16-4-5-16/h6-8,14-16,18,27H,4-5,9-13H2,1-3H3
InChIKeyLGCIFMLKXXSOIO-UHFFFAOYSA-N
XLogP2.79
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide (CID 70326411) is 2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide is CC1CSC(N(C)C(=O)CN2CC(c3ccc(C(C)O)c(OCC4CC4)c3)CC2=O)=N1.
What is the InChIKey of 2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The InChIKey is LGCIFMLKXXSOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-14-13-31-23(24-14)25(3)22(29)11-26-10-18(9-21(26)28)17-6-7-19(15(2)27)20(8-17)30-12-16-4-5-16/h6-8,14-16,18,27H,4-5,9-13H2,1-3H3.
What are the key properties of 2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide?
2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide has a molecular weight of 445.59 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyclopropylmethoxy)-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 70326411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).