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

C17H18N4O3S — CID 29412100

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(N2CCCC2=O)c1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C17H18N4O3S/c22-14(18-17-20-19-16(25-17)11-6-7-11)10-24-13-4-1-3-12(9-13)21-8-2-5-15(21)23/h1,3-4,9,11H,2,5-8,10H2,(H,18,20,22)
InChIKeyNFEUZZFBIKYWJA-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.56
Rot. Bonds6

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 29412100) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID29412100
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESO=C(COc1cccc(N2CCCC2=O)c1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C17H18N4O3S/c22-14(18-17-20-19-16(25-17)11-6-7-11)10-24-13-4-1-3-12(9-13)21-8-2-5-15(21)23/h1,3-4,9,11H,2,5-8,10H2,(H,18,20,22)
InChIKeyNFEUZZFBIKYWJA-UHFFFAOYSA-N
XLogP2.56
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 8503013
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 43021553
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
N-[2-(aminomethyl)cyclopentyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
CID 119602651
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide
CID 86828694
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 47014571
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7995236
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 78889287
1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119561650
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 30703287
3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 24675926

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 29412100) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is O=C(COc1cccc(N2CCCC2=O)c1)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is NFEUZZFBIKYWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-14(18-17-20-19-16(25-17)11-6-7-11)10-24-13-4-1-3-12(9-13)21-8-2-5-15(21)23/h1,3-4,9,11H,2,5-8,10H2,(H,18,20,22).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 29412100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).