N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide

C24H28N2O2S — CID 41088668

IUPACN-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
SMILESCOc1ccccc1NC(=O)CN[C@H](c1ccc(CC(C)C)cc1)c1cccs1
InChIInChI=1S/C24H28N2O2S/c1-17(2)15-18-10-12-19(13-11-18)24(22-9-6-14-29-22)25-16-23(27)26-20-7-4-5-8-21(20)28-3/h4-14,17,24-25H,15-16H2,1-3H3,(H,26,27)/t24-/m1/s1
InChIKeyCVPKTNWCJYWVAT-XMMPIXPASA-N
MW408.57 g/mol
LogP5.27
Rot. Bonds9

About N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide

N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 41088668) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
PubChem CID41088668
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
SMILESCOc1ccccc1NC(=O)CN[C@H](c1ccc(CC(C)C)cc1)c1cccs1
InChIInChI=1S/C24H28N2O2S/c1-17(2)15-18-10-12-19(13-11-18)24(22-9-6-14-29-22)25-16-23(27)26-20-7-4-5-8-21(20)28-3/h4-14,17,24-25H,15-16H2,1-3H3,(H,26,27)/t24-/m1/s1
InChIKeyCVPKTNWCJYWVAT-XMMPIXPASA-N
XLogP5.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide
CID 9126293
N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126196
N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052002
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 26540797
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126324
N-[(2-methoxyphenyl)methyl]-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997945
N-(2-bromophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051902
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869023
N-(1-cyanocyclopentyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126261
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867180
2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17392078

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide (CID 41088668) is N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide is COc1ccccc1NC(=O)CN[C@H](c1ccc(CC(C)C)cc1)c1cccs1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is CVPKTNWCJYWVAT-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-17(2)15-18-10-12-19(13-11-18)24(22-9-6-14-29-22)25-16-23(27)26-20-7-4-5-8-21(20)28-3/h4-14,17,24-25H,15-16H2,1-3H3,(H,26,27)/t24-/m1/s1.
What are the key properties of N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?
N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 408.57 g/mol, XLogP of 5.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 41088668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).