N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C24H28N2O2S — CID 8997945

IUPACN-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCOc1ccccc1CNC(=O)CN[C@@H](c1ccc(C(C)C)cc1)c1cccs1
InChIInChI=1S/C24H28N2O2S/c1-17(2)18-10-12-19(13-11-18)24(22-9-6-14-29-22)26-16-23(27)25-15-20-7-4-5-8-21(20)28-3/h4-14,17,24,26H,15-16H2,1-3H3,(H,25,27)/t24-/m0/s1
InChIKeyLFSNNJMHDFXTAM-DEOSSOPVSA-N
MW408.57 g/mol
LogP4.88
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide

N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 8997945) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID8997945
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCOc1ccccc1CNC(=O)CN[C@@H](c1ccc(C(C)C)cc1)c1cccs1
InChIInChI=1S/C24H28N2O2S/c1-17(2)18-10-12-19(13-11-18)24(22-9-6-14-29-22)26-16-23(27)25-15-20-7-4-5-8-21(20)28-3/h4-14,17,24,26H,15-16H2,1-3H3,(H,25,27)/t24-/m0/s1
InChIKeyLFSNNJMHDFXTAM-DEOSSOPVSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997932
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9335503
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869023
N-[(4-methoxyphenyl)methyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051908
N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 41088668
methyl 4-[[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]methyl]benzoate
CID 9050488
N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9270265
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
3-(2-methoxyphenyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 24613748
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867180
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 26540797

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 8997945) is N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide is COc1ccccc1CNC(=O)CN[C@@H](c1ccc(C(C)C)cc1)c1cccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is LFSNNJMHDFXTAM-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-17(2)18-10-12-19(13-11-18)24(22-9-6-14-29-22)26-16-23(27)25-15-20-7-4-5-8-21(20)28-3/h4-14,17,24,26H,15-16H2,1-3H3,(H,25,27)/t24-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 408.57 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 8997945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).