N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

C25H28N2O5S — CID 55394738

IUPACN-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCc1ccc(C(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccs2)cc1
InChIInChI=1S/C25H28N2O5S/c1-5-16-8-10-17(11-9-16)23(21-7-6-12-33-21)27-22(28)15-26-25(29)18-13-19(30-2)24(32-4)20(14-18)31-3/h6-14,23H,5,15H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyRCKGFVFBXSTGJV-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.97
Rot. Bonds10

About N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 55394738) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID55394738
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCc1ccc(C(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccs2)cc1
InChIInChI=1S/C25H28N2O5S/c1-5-16-8-10-17(11-9-16)23(21-7-6-12-33-21)27-22(28)15-26-25(29)18-13-19(30-2)24(32-4)20(14-18)31-3/h6-14,23H,5,15H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyRCKGFVFBXSTGJV-UHFFFAOYSA-N
XLogP3.97
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7669917
N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 55394717
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide
CID 7669993
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55499002
[(1R)-1-(4-ethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8796400
2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8769647
4-(2-amino-2-oxoethoxy)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]-3-chloro-5-methoxybenzamide
CID 24597433
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085
3,4,5-trimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide
CID 8799365
methyl N-[2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetyl]carbamate
CID 8769482
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 55394738) is N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is CCc1ccc(C(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccs2)cc1.
What is the InChIKey of N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is RCKGFVFBXSTGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-5-16-8-10-17(11-9-16)23(21-7-6-12-33-21)27-22(28)15-26-25(29)18-13-19(30-2)24(32-4)20(14-18)31-3/h6-14,23H,5,15H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 468.58 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 55394738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).