2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide

C18H24ClN3O3S — CID 69240573

IUPAC2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCC1CNC(C(=O)N2CCSC2)C1
InChIInChI=1S/C18H24ClN3O3S/c1-12-6-14(19)2-3-16(12)25-10-17(23)21-9-13-7-15(20-8-13)18(24)22-4-5-26-11-22/h2-3,6,13,15,20H,4-5,7-11H2,1H3,(H,21,23)
InChIKeyDRVMYHACXZSKSJ-UHFFFAOYSA-N
MW397.93 g/mol
LogP1.65
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 69240573) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID69240573
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCC1CNC(C(=O)N2CCSC2)C1
InChIInChI=1S/C18H24ClN3O3S/c1-12-6-14(19)2-3-16(12)25-10-17(23)21-9-13-7-15(20-8-13)18(24)22-4-5-26-11-22/h2-3,6,13,15,20H,4-5,7-11H2,1H3,(H,21,23)
InChIKeyDRVMYHACXZSKSJ-UHFFFAOYSA-N
XLogP1.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69238431
phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 69240790
1-(2-methoxyphenyl)-3-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]urea
CID 69240965
4-(dimethylamino)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242452
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]quinoxaline-2-carboxamide
CID 91366956
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-(4-chloro-2-methylphenoxy)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 897056
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
2-(4-chloro-2-methylphenoxy)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79403806
N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3441069
4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 126853022

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide (CID 69240573) is 2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NCC1CNC(C(=O)N2CCSC2)C1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is DRVMYHACXZSKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S/c1-12-6-14(19)2-3-16(12)25-10-17(23)21-9-13-7-15(20-8-13)18(24)22-4-5-26-11-22/h2-3,6,13,15,20H,4-5,7-11H2,1H3,(H,21,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 397.93 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 69240573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).