2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide

C20H25NO4S2 — CID 662990

IUPAC2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cccc(OC(C)C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C20H25NO4S2/c1-14-6-4-8-19(15(14)2)25-16(3)20(22)21(12-18-7-5-10-26-18)17-9-11-27(23,24)13-17/h4-8,10,16-17H,9,11-13H2,1-3H3
InChIKeyOMLYKVAXWAKXKB-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.35
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide

2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 662990) has the molecular formula C20H25NO4S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID662990
Molecular FormulaC20H25NO4S2
Molecular Weight407.56 g/mol
Exact Mass407.12
IUPAC Name2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1cccc(OC(C)C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C20H25NO4S2/c1-14-6-4-8-19(15(14)2)25-16(3)20(22)21(12-18-7-5-10-26-18)17-9-11-27(23,24)13-17/h4-8,10,16-17H,9,11-13H2,1-3H3
InChIKeyOMLYKVAXWAKXKB-UHFFFAOYSA-N
XLogP3.35
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 67516707
N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510929
N-ethyl-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511310
2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512058
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 67512330
2-(2,3-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 662331
2-(3,5-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 662528
N-(1,1-dioxothiolan-3-yl)-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 662623
2-(4-tert-butylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 3436376
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[4-(propan-2-yl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 3494694
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 3549724
2-(3,4-dimethylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4365772

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 662990) is 2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide is Cc1cccc(OC(C)C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is OMLYKVAXWAKXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S2/c1-14-6-4-8-19(15(14)2)25-16(3)20(22)21(12-18-7-5-10-26-18)17-9-11-27(23,24)13-17/h4-8,10,16-17H,9,11-13H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide?
2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 407.56 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 662990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).