N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide

C21H24F2N4O4S — CID 11684151

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide
SMILESCCOc1cc([C@@H]2CC(=O)N(CC(=O)N(C)c3nnc(C4CC4)s3)C2)ccc1OC(F)F
InChIInChI=1S/C21H24F2N4O4S/c1-3-30-16-8-13(6-7-15(16)31-20(22)23)14-9-17(28)27(10-14)11-18(29)26(2)21-25-24-19(32-21)12-4-5-12/h6-8,12,14,20H,3-5,9-11H2,1-2H3/t14-/m1/s1
InChIKeyYVPHHJPUSHWRGF-CQSZACIVSA-N
MW466.51 g/mol
LogP3.39
Rot. Bonds9

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide (PubChem CID 11684151) has the molecular formula C21H24F2N4O4S and a molecular weight of 466.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide
PubChem CID11684151
Molecular FormulaC21H24F2N4O4S
Molecular Weight466.51 g/mol
Exact Mass466.15
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide
SMILESCCOc1cc([C@@H]2CC(=O)N(CC(=O)N(C)c3nnc(C4CC4)s3)C2)ccc1OC(F)F
InChIInChI=1S/C21H24F2N4O4S/c1-3-30-16-8-13(6-7-15(16)31-20(22)23)14-9-17(28)27(10-14)11-18(29)26(2)21-25-24-19(32-21)12-4-5-12/h6-8,12,14,20H,3-5,9-11H2,1-2H3/t14-/m1/s1
InChIKeyYVPHHJPUSHWRGF-CQSZACIVSA-N
XLogP3.39
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
CID 73072430
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
CID 76579707
2-[(4S)-4-(3-ethoxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
CID 11582475
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 11698011
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
N-[4-[[4-[3,4-bis(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide
CID 54128625
2-[(4S)-4-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-2-oxopyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 11524672
ethyl (6S)-6-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-methyl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate
CID 8861029
2-[4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 72983720
2-[4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-2-oxopyrrolidin-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 10227645
2-[(4S)-4-[3-ethoxy-4-(1-hydroxyethyl)phenyl]-2-oxopyrrolidin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide
CID 70326472
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97272526

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide (CID 11684151) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide is CCOc1cc([C@@H]2CC(=O)N(CC(=O)N(C)c3nnc(C4CC4)s3)C2)ccc1OC(F)F.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is YVPHHJPUSHWRGF-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24F2N4O4S/c1-3-30-16-8-13(6-7-15(16)31-20(22)23)14-9-17(28)27(10-14)11-18(29)26(2)21-25-24-19(32-21)12-4-5-12/h6-8,12,14,20H,3-5,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 466.51 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 11684151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).