N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide

C16H20N2O3S2 — CID 18127362

IUPACN-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
SMILESCC(c1cccs1)N(C)CC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O3S2/c1-12(15-5-4-10-22-15)18(2)11-16(19)17-13-6-8-14(9-7-13)23(3,20)21/h4-10,12H,11H2,1-3H3,(H,17,19)
InChIKeyXAFDQDHLLKDWSL-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.78
Rot. Bonds6

About N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide

N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide (PubChem CID 18127362) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
PubChem CID18127362
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
SMILESCC(c1cccs1)N(C)CC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O3S2/c1-12(15-5-4-10-22-15)18(2)11-16(19)17-13-6-8-14(9-7-13)23(3,20)21/h4-10,12H,11H2,1-3H3,(H,17,19)
InChIKeyXAFDQDHLLKDWSL-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18124847
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913063
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689
N-(2,4-dimethylphenyl)-2-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 40809350
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 46551619
2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol
CID 60898378
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
N-(2,6-dimethylphenyl)-2-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]acetamide
CID 18124910
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide (CID 18127362) is N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide is CC(c1cccs1)N(C)CC(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
The InChIKey is XAFDQDHLLKDWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-12(15-5-4-10-22-15)18(2)11-16(19)17-13-6-8-14(9-7-13)23(3,20)21/h4-10,12H,11H2,1-3H3,(H,17,19).
What are the key properties of N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide?
N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide has a molecular weight of 352.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide is sourced from PubChem (CID 18127362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).