N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide

C21H21NO3S — CID 27901791

IUPACN-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C21H21NO3S/c1-24-19-8-2-3-9-20(19)25-17-13-11-16(12-14-17)22-21(23)10-4-6-18-7-5-15-26-18/h2-3,5,7-9,11-15H,4,6,10H2,1H3,(H,22,23)
InChIKeyISNMLMPVCBXQKU-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.51
Rot. Bonds8

About N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide

N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 27901791) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide
PubChem CID27901791
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C21H21NO3S/c1-24-19-8-2-3-9-20(19)25-17-13-11-16(12-14-17)22-21(23)10-4-6-18-7-5-15-26-18/h2-3,5,7-9,11-15H,4,6,10H2,1H3,(H,22,23)
InChIKeyISNMLMPVCBXQKU-UHFFFAOYSA-N
XLogP5.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
CID 47044022
N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide
CID 43066844
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32765837
N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 131900391
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
N-[4-(2-methoxyphenoxy)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18139288

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide (CID 27901791) is N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide is COc1ccccc1Oc1ccc(NC(=O)CCCc2cccs2)cc1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is ISNMLMPVCBXQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-24-19-8-2-3-9-20(19)25-17-13-11-16(12-14-17)22-21(23)10-4-6-18-7-5-15-26-18/h2-3,5,7-9,11-15H,4,6,10H2,1H3,(H,22,23).
What are the key properties of N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide?
N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 367.47 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 27901791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).