N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide

C24H27NO3S — CID 18275719

IUPACN-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide
SMILESCCCCc1ccc(C(NC(=O)COc2ccc(OC)cc2)c2cccs2)cc1
InChIInChI=1S/C24H27NO3S/c1-3-4-6-18-8-10-19(11-9-18)24(22-7-5-16-29-22)25-23(26)17-28-21-14-12-20(27-2)13-15-21/h5,7-16,24H,3-4,6,17H2,1-2H3,(H,25,26)
InChIKeyOGSNBQLDOASFAU-UHFFFAOYSA-N
MW409.55 g/mol
LogP5.38
Rot. Bonds10

About N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide

N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 18275719) has the molecular formula C24H27NO3S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID18275719
Molecular FormulaC24H27NO3S
Molecular Weight409.55 g/mol
Exact Mass409.17
IUPAC NameN-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide
SMILESCCCCc1ccc(C(NC(=O)COc2ccc(OC)cc2)c2cccs2)cc1
InChIInChI=1S/C24H27NO3S/c1-3-4-6-18-8-10-19(11-9-18)24(22-7-5-16-29-22)25-23(26)17-28-21-14-12-20(27-2)13-15-21/h5,7-16,24H,3-4,6,17H2,1-2H3,(H,25,26)
InChIKeyOGSNBQLDOASFAU-UHFFFAOYSA-N
XLogP5.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.55
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 41411582
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide
CID 7669993
4-(2-amino-2-oxoethoxy)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]-3-chloro-5-methoxybenzamide
CID 24597433
2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9012921
2-(3-methylphenoxy)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 8854678
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41442393
4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46655862
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7669917

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide (CID 18275719) is N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide is CCCCc1ccc(C(NC(=O)COc2ccc(OC)cc2)c2cccs2)cc1.
What is the InChIKey of N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is OGSNBQLDOASFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3S/c1-3-4-6-18-8-10-19(11-9-18)24(22-7-5-16-29-22)25-23(26)17-28-21-14-12-20(27-2)13-15-21/h5,7-16,24H,3-4,6,17H2,1-2H3,(H,25,26).
What are the key properties of N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide?
N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 409.55 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 18275719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).