N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C23H26N2O2S — CID 8868659

IUPACN-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)NCCOc2cccc(C)c2)c2cccs2)cc1
InChIInChI=1S/C23H26N2O2S/c1-17-8-10-19(11-9-17)23(21-7-4-14-28-21)25-16-22(26)24-12-13-27-20-6-3-5-18(2)15-20/h3-11,14-15,23,25H,12-13,16H2,1-2H3,(H,24,26)/t23-/m0/s1
InChIKeyNEAPIIMLKMEWOK-QHCPKHFHSA-N
MW394.54 g/mol
LogP4.24
Rot. Bonds9

About N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide

N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 8868659) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID8868659
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)NCCOc2cccc(C)c2)c2cccs2)cc1
InChIInChI=1S/C23H26N2O2S/c1-17-8-10-19(11-9-17)23(21-7-4-14-28-21)25-16-22(26)24-12-13-27-20-6-3-5-18(2)15-20/h3-11,14-15,23,25H,12-13,16H2,1-2H3,(H,24,26)/t23-/m0/s1
InChIKeyNEAPIIMLKMEWOK-QHCPKHFHSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869023
2-(3-methylphenoxy)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 8854678
N-(3-methylbutyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867294
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869471
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8864787
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 8636590
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867180
N-[(4-methoxyphenyl)methyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051908
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
3-acetamido-N-[3-(3-methylphenoxy)propyl]-3-thiophen-2-ylpropanamide
CID 46690393
2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 8867924

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 8868659) is N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide is Cc1ccc([C@H](NCC(=O)NCCOc2cccc(C)c2)c2cccs2)cc1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is NEAPIIMLKMEWOK-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-17-8-10-19(11-9-17)23(21-7-4-14-28-21)25-16-22(26)24-12-13-27-20-6-3-5-18(2)15-20/h3-11,14-15,23,25H,12-13,16H2,1-2H3,(H,24,26)/t23-/m0/s1.
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 394.54 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 8868659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).