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

C20H22F2N4O4S — CID 73072430

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCCOc1cc(C2CC(=O)N(CC(=O)Nc3nnc(C4CC4)s3)C2)ccc1OC(F)F
InChIInChI=1S/C20H22F2N4O4S/c1-2-29-15-7-12(5-6-14(15)30-19(21)22)13-8-17(28)26(9-13)10-16(27)23-20-25-24-18(31-20)11-3-4-11/h5-7,11,13,19H,2-4,8-10H2,1H3,(H,23,25,27)
InChIKeyBYXSJQOTDBNIGZ-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.37
Rot. Bonds9

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 73072430) has the molecular formula C20H22F2N4O4S and a molecular weight of 452.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
PubChem CID73072430
Molecular FormulaC20H22F2N4O4S
Molecular Weight452.48 g/mol
Exact Mass452.13
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCCOc1cc(C2CC(=O)N(CC(=O)Nc3nnc(C4CC4)s3)C2)ccc1OC(F)F
InChIInChI=1S/C20H22F2N4O4S/c1-2-29-15-7-12(5-6-14(15)30-19(21)22)13-8-17(28)26(9-13)10-16(27)23-20-25-24-18(31-20)11-3-4-11/h5-7,11,13,19H,2-4,8-10H2,1H3,(H,23,25,27)
InChIKeyBYXSJQOTDBNIGZ-UHFFFAOYSA-N
XLogP3.37
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide (CID 73072430) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide is CCOc1cc(C2CC(=O)N(CC(=O)Nc3nnc(C4CC4)s3)C2)ccc1OC(F)F.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is BYXSJQOTDBNIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4S/c1-2-29-15-7-12(5-6-14(15)30-19(21)22)13-8-17(28)26(9-13)10-16(27)23-20-25-24-18(31-20)11-3-4-11/h5-7,11,13,19H,2-4,8-10H2,1H3,(H,23,25,27).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 452.48 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 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-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 73072430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).