(4-methoxy-N-thiophen-2-ylanilino) acetate

C13H13NO3S — CID 175099311

IUPAC(4-methoxy-N-thiophen-2-ylanilino) acetate
SMILESCOc1ccc(N(OC(C)=O)c2cccs2)cc1
InChIInChI=1S/C13H13NO3S/c1-10(15)17-14(13-4-3-9-18-13)11-5-7-12(16-2)8-6-11/h3-9H,1-2H3
InChIKeyDFTBLBVRPNOOPG-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.37
Rot. Bonds4

About (4-methoxy-N-thiophen-2-ylanilino) acetate

(4-methoxy-N-thiophen-2-ylanilino) acetate (PubChem CID 175099311) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is (4-methoxy-N-thiophen-2-ylanilino) acetate.

Molecular Properties

Compound Name(4-methoxy-N-thiophen-2-ylanilino) acetate
PubChem CID175099311
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name(4-methoxy-N-thiophen-2-ylanilino) acetate
SMILESCOc1ccc(N(OC(C)=O)c2cccs2)cc1
InChIInChI=1S/C13H13NO3S/c1-10(15)17-14(13-4-3-9-18-13)11-5-7-12(16-2)8-6-11/h3-9H,1-2H3
InChIKeyDFTBLBVRPNOOPG-UHFFFAOYSA-N
XLogP3.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methoxy-N-(4-methoxyphenyl)anilino) acetate
CID 175095203
(N-(3-chlorophenyl)-4-methoxyanilino) acetate
CID 175350374
1,1,3,3-tetrathiophen-2-ylurea
CID 19774771
[4-methoxy-N-(2-oxopropoxy)anilino] acetate
CID 163606382
4-methoxy-N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonylbenzamide
CID 993467
2-(4-methoxyphenyl)sulfonylethyl-thiophen-2-ylcarbamic acid
CID 57150865
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide
CID 113091117
N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
[4-[acetyl(thiophen-2-ylsulfonyl)amino]phenyl] acetate
CID 754067
N-(4-methoxyphenyl)-4-methyl-N-thiophen-2-ylsulfonylbenzamide
CID 993466

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-N-thiophen-2-ylanilino) acetate?
The IUPAC name of (4-methoxy-N-thiophen-2-ylanilino) acetate (CID 175099311) is (4-methoxy-N-thiophen-2-ylanilino) acetate.
What is the SMILES notation for (4-methoxy-N-thiophen-2-ylanilino) acetate?
The canonical SMILES for (4-methoxy-N-thiophen-2-ylanilino) acetate is COc1ccc(N(OC(C)=O)c2cccs2)cc1.
What is the InChIKey of (4-methoxy-N-thiophen-2-ylanilino) acetate?
The InChIKey is DFTBLBVRPNOOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-10(15)17-14(13-4-3-9-18-13)11-5-7-12(16-2)8-6-11/h3-9H,1-2H3.
What are the key properties of (4-methoxy-N-thiophen-2-ylanilino) acetate?
(4-methoxy-N-thiophen-2-ylanilino) acetate has a molecular weight of 263.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-N-thiophen-2-ylanilino) acetate is sourced from PubChem (CID 175099311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).