N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide

C19H26N2O2S — CID 97322975

IUPACN-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide
SMILESCOc1ccc([C@@H](C)NC[C@H](C)Cc2cccs2)cc1NC(C)=O
InChIInChI=1S/C19H26N2O2S/c1-13(10-17-6-5-9-24-17)12-20-14(2)16-7-8-19(23-4)18(11-16)21-15(3)22/h5-9,11,13-14,20H,10,12H2,1-4H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyRUMQEPFCFYFTMR-ZIAGYGMSSA-N
MW346.50 g/mol
LogP4.24
Rot. Bonds8

About N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide

N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide (PubChem CID 97322975) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide
PubChem CID97322975
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide
SMILESCOc1ccc([C@@H](C)NC[C@H](C)Cc2cccs2)cc1NC(C)=O
InChIInChI=1S/C19H26N2O2S/c1-13(10-17-6-5-9-24-17)12-20-14(2)16-7-8-19(23-4)18(11-16)21-15(3)22/h5-9,11,13-14,20H,10,12H2,1-4H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyRUMQEPFCFYFTMR-ZIAGYGMSSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-[1-[(2-methyl-3-thiophen-2-ylpropyl)amino]ethyl]phenyl]acetamide
CID 75428378
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971097
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296925
1-[1-(3-bromo-4-methoxyphenyl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 112799340
(2R)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-(thiophen-2-ylmethylamino)acetamide
CID 8512914
N-[2-methoxy-5-[1-methoxy-2-(methylamino)ethyl]phenyl]acetamide
CID 112514053
N-[2-methoxy-5-[[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methyl]phenyl]acetamide
CID 111350210
N-[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]acetamide
CID 75499167
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide
CID 97232152
4-methoxy-N-(2-methyl-3-thiophen-2-ylpropyl)butan-2-amine
CID 115723916
N-[5-(1-amino-4-methylpentan-3-yl)-2-methoxyphenyl]acetamide
CID 112514061

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide (CID 97322975) is N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide is COc1ccc([C@@H](C)NC[C@H](C)Cc2cccs2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide?
The InChIKey is RUMQEPFCFYFTMR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-13(10-17-6-5-9-24-17)12-20-14(2)16-7-8-19(23-4)18(11-16)21-15(3)22/h5-9,11,13-14,20H,10,12H2,1-4H3,(H,21,22)/t13-,14-/m1/s1.
What are the key properties of N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide?
N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide has a molecular weight of 346.50 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(1R)-1-[[(2R)-2-methyl-3-thiophen-2-ylpropyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 97322975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).