2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide

C19H17NO3S2 — CID 121131670

IUPAC2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1
InChIInChI=1S/C19H17NO3S2/c1-13-4-6-14(7-5-13)23-12-18(21)20-11-15-8-9-17(25-15)19(22)16-3-2-10-24-16/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyIGFJILZFBPBLDB-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.04
Rot. Bonds7

About 2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide

2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide (PubChem CID 121131670) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
PubChem CID121131670
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1
InChIInChI=1S/C19H17NO3S2/c1-13-4-6-14(7-5-13)23-12-18(21)20-11-15-8-9-17(25-15)19(22)16-3-2-10-24-16/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyIGFJILZFBPBLDB-UHFFFAOYSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 90583483
3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
2-(4-phenylphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131732
4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide
CID 121131639
3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693
N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide
CID 121131867
1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131918
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-phenoxyacetamide
CID 90583461
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2427182
1-(3-phenylpropyl)-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131937

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide (CID 121131670) is 2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide is Cc1ccc(OCC(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide?
The InChIKey is IGFJILZFBPBLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-13-4-6-14(7-5-13)23-12-18(21)20-11-15-8-9-17(25-15)19(22)16-3-2-10-24-16/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide?
2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 121131670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).