N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide

C17H22N2OS — CID 40809350

IUPACN-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)[C@H](C)c2cccs2)c(C)c1
InChIInChI=1S/C17H22N2OS/c1-12-7-8-15(13(2)10-12)18-17(20)11-19(4)14(3)16-6-5-9-21-16/h5-10,14H,11H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyUTSXCLHMMUATID-CQSZACIVSA-N
MW302.44 g/mol
LogP4.00
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide

N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide (PubChem CID 40809350) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide
PubChem CID40809350
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)[C@H](C)c2cccs2)c(C)c1
InChIInChI=1S/C17H22N2OS/c1-12-7-8-15(13(2)10-12)18-17(20)11-19(4)14(3)16-6-5-9-21-16/h5-10,14H,11H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyUTSXCLHMMUATID-CQSZACIVSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-[methyl(1-methylsulfinylpropan-2-yl)amino]acetamide
CID 75521175
ethyl 2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]benzoate
CID 18124855
N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18124847
N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide
CID 18124910
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18127362
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8712055
2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119913405
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 51281899

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide (CID 40809350) is N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide is Cc1ccc(NC(=O)CN(C)[C@H](C)c2cccs2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide?
The InChIKey is UTSXCLHMMUATID-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-7-8-15(13(2)10-12)18-17(20)11-19(4)14(3)16-6-5-9-21-16/h5-10,14H,11H2,1-4H3,(H,18,20)/t14-/m1/s1.
What are the key properties of N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide?
N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide has a molecular weight of 302.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide is sourced from PubChem (CID 40809350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).