2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide

C16H20N2O2S — CID 60991740

IUPAC2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide
SMILESCCC(NCc1cccs1)(C(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-16(15(17)19,18-11-14-5-4-10-21-14)12-6-8-13(20-2)9-7-12/h4-10,18H,3,11H2,1-2H3,(H2,17,19)
InChIKeyXCYCCMVTTXJYMI-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.64
Rot. Bonds7

About 2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide

2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide (PubChem CID 60991740) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide
PubChem CID60991740
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide
SMILESCCC(NCc1cccs1)(C(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-16(15(17)19,18-11-14-5-4-10-21-14)12-6-8-13(20-2)9-7-12/h4-10,18H,3,11H2,1-2H3,(H2,17,19)
InChIKeyXCYCCMVTTXJYMI-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-2-(thiophen-2-ylmethylamino)butanoic acid
CID 61001317
2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891569
3,3-dimethoxy-2-methyl-2-(thiophen-2-ylmethylamino)propanamide
CID 66165551
N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242497
3-(4-methoxyphenyl)-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 65380352
2-(4-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001696
2-(4-methoxyphenyl)-1-thiophen-2-ylpropan-2-ol
CID 65145347
2-(3,4-difluorophenyl)-2-(thiophen-2-ylmethylamino)propanamide
CID 60991456
methyl 2-(4-methoxyphenyl)-2-(propylamino)butanoate
CID 54918211
methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 54895016
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 18094706
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide?
The IUPAC name of 2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide (CID 60991740) is 2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide is CCC(NCc1cccs1)(C(N)=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide?
The InChIKey is XCYCCMVTTXJYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-16(15(17)19,18-11-14-5-4-10-21-14)12-6-8-13(20-2)9-7-12/h4-10,18H,3,11H2,1-2H3,(H2,17,19).
What are the key properties of 2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide?
2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide has a molecular weight of 304.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)butanamide is sourced from PubChem (CID 60991740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).