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

C21H24F2N4O4S — CID 11712432

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCC(C)Oc1cc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(C4CC4)s3)C2)ccc1OC(F)F
InChIInChI=1S/C21H24F2N4O4S/c1-11(2)30-16-7-13(5-6-15(16)31-20(22)23)14-8-18(29)27(9-14)10-17(28)24-21-26-25-19(32-21)12-3-4-12/h5-7,11-12,14,20H,3-4,8-10H2,1-2H3,(H,24,26,28)/t14-/m1/s1
InChIKeyUUKIAVLBBYDZFD-CQSZACIVSA-N
MW466.51 g/mol
LogP3.76
Rot. Bonds9

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 11712432) 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-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
PubChem CID11712432
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-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide
SMILESCC(C)Oc1cc([C@@H]2CC(=O)N(CC(=O)Nc3nnc(C4CC4)s3)C2)ccc1OC(F)F
InChIInChI=1S/C21H24F2N4O4S/c1-11(2)30-16-7-13(5-6-15(16)31-20(22)23)14-8-18(29)27(9-14)10-17(28)24-21-26-25-19(32-21)12-3-4-12/h5-7,11-12,14,20H,3-4,8-10H2,1-2H3,(H,24,26,28)/t14-/m1/s1
InChIKeyUUKIAVLBBYDZFD-CQSZACIVSA-N
XLogP3.76
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.76
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-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide (CID 11712432) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide is CC(C)Oc1cc([C@@H]2CC(=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-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is UUKIAVLBBYDZFD-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24F2N4O4S/c1-11(2)30-16-7-13(5-6-15(16)31-20(22)23)14-8-18(29)27(9-14)10-17(28)24-21-26-25-19(32-21)12-3-4-12/h5-7,11-12,14,20H,3-4,8-10H2,1-2H3,(H,24,26,28)/t14-/m1/s1.
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 466.51 g/mol, XLogP of 3.76, 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-[(4S)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 11712432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).