N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide

C22H23NO5S — CID 141187798

IUPACN-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide
SMILESCOc1ccc(-c2sccc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O
InChIInChI=1S/C22H23NO5S/c1-13(24)23-17-10-14(6-7-18(17)25-2)22-16(8-9-29-22)15-11-19(26-3)21(28-5)20(12-15)27-4/h6-12H,1-5H3,(H,23,24)
InChIKeyXMJMTUWVPIXICK-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.07
Rot. Bonds7

About N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide

N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide (PubChem CID 141187798) has the molecular formula C22H23NO5S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide
PubChem CID141187798
Molecular FormulaC22H23NO5S
Molecular Weight413.50 g/mol
Exact Mass413.13
IUPAC NameN-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide
SMILESCOc1ccc(-c2sccc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O
InChIInChI=1S/C22H23NO5S/c1-13(24)23-17-10-14(6-7-18(17)25-2)22-16(8-9-29-22)15-11-19(26-3)21(28-5)20(12-15)27-4/h6-12H,1-5H3,(H,23,24)
InChIKeyXMJMTUWVPIXICK-UHFFFAOYSA-N
XLogP5.07
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenol
CID 44814549
ethyl 5-(3-acetamido-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene-2-carboxylate
CID 141187800
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)thiophen-3-yl]phenol
CID 44814730
3-amino-3-hydroxy-N-[2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2-thiazol-5-yl]phenyl]propanamide
CID 66744969
4-[2-(3,4-dimethoxyphenyl)thiophen-3-yl]benzenesulfonamide
CID 20658521
CID 87134307
CID 87134307
N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide
CID 59430003
N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 16563086
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
2-amino-3-hydroxy-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenyl]butanamide
CID 76570054
[(2S)-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]anilino]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 158967705
N-(5-iodo-2-methoxyphenyl)acetamide
CID 11737859

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide (CID 141187798) is N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide is COc1ccc(-c2sccc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide?
The InChIKey is XMJMTUWVPIXICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5S/c1-13(24)23-17-10-14(6-7-18(17)25-2)22-16(8-9-29-22)15-11-19(26-3)21(28-5)20(12-15)27-4/h6-12H,1-5H3,(H,23,24).
What are the key properties of N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide?
N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide is sourced from PubChem (CID 141187798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).