N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C15H18N2O3S2 — CID 4318849

IUPACN-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H18N2O3S2/c1-3-12-6-4-7-13(10-12)16-14(18)11-17(2)22(19,20)15-8-5-9-21-15/h4-10H,3,11H2,1-2H3,(H,16,18)
InChIKeyNUNHJKATLYSBOA-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.57
Rot. Bonds6

About N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 4318849) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID4318849
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H18N2O3S2/c1-3-12-6-4-7-13(10-12)16-14(18)11-17(2)22(19,20)15-8-5-9-21-15/h4-10H,3,11H2,1-2H3,(H,16,18)
InChIKeyNUNHJKATLYSBOA-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)-5-[(Thiophen-2-Ylsulfonyl)amino]phenyl}butanamide
CID 71297183
N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
4-{[Methyl(3-methylphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 6486034
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 4290749
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-[4-(Diethylamino)-2-methylphenyl]-3-methyl-2-(thiophene-2-sulfonamido)butanamide
CID 15988648
N-(3-Ethylphenyl)-3-phenyl-2-(thiophene-2-sulfonamido)propanamide
CID 15987880
N-[3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)phenyl]thiophene-2-Sulfonamide
CID 71297184
N~2~-(3-methylphenyl)-N~2~-(methylsulfonyl)-N~1~-[3-(methylthio)phenyl]glycinamide
CID 1308148
N~2~-benzyl-N~2~-(methylsulfonyl)-N~1~-[2-(methylthio)phenyl]glycinamide
CID 2202721

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 4318849) is N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is NUNHJKATLYSBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-3-12-6-4-7-13(10-12)16-14(18)11-17(2)22(19,20)15-8-5-9-21-15/h4-10H,3,11H2,1-2H3,(H,16,18).
What are the key properties of N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 4318849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).