2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide

C22H24F2N4O4S — CID 11684381

IUPAC2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1C[C@H](c2ccc(OC(F)F)c(OCC3CC3)c2)CC1=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C22H24F2N4O4S/c23-21(24)32-16-6-5-14(7-17(16)31-11-12-1-2-12)15-8-19(30)28(9-15)10-18(29)25-22-27-26-20(33-22)13-3-4-13/h5-7,12-13,15,21H,1-4,8-11H2,(H,25,27,29)/t15-/m1/s1
InChIKeyLDSUJOMCHBZLBC-OAHLLOKOSA-N
MW478.52 g/mol
LogP3.76
Rot. Bonds10

About 2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 11684381) has the molecular formula C22H24F2N4O4S and a molecular weight of 478.52 g/mol. Its IUPAC name is 2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID11684381
Molecular FormulaC22H24F2N4O4S
Molecular Weight478.52 g/mol
Exact Mass478.15
IUPAC Name2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1C[C@H](c2ccc(OC(F)F)c(OCC3CC3)c2)CC1=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C22H24F2N4O4S/c23-21(24)32-16-6-5-14(7-17(16)31-11-12-1-2-12)15-8-19(30)28(9-15)10-18(29)25-22-27-26-20(33-22)13-3-4-13/h5-7,12-13,15,21H,1-4,8-11H2,(H,25,27,29)/t15-/m1/s1
InChIKeyLDSUJOMCHBZLBC-OAHLLOKOSA-N
XLogP3.76
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (CID 11684381) is 2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1C[C@H](c2ccc(OC(F)F)c(OCC3CC3)c2)CC1=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is LDSUJOMCHBZLBC-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24F2N4O4S/c23-21(24)32-16-6-5-14(7-17(16)31-11-12-1-2-12)15-8-19(30)28(9-15)10-18(29)25-22-27-26-20(33-22)13-3-4-13/h5-7,12-13,15,21H,1-4,8-11H2,(H,25,27,29)/t15-/m1/s1.
What are the key properties of 2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 478.52 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 11684381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).