4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

C16H19NO4S2 — CID 90598487

IUPAC4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(C)s1
InChIInChI=1S/C16H19NO4S2/c1-11-4-9-16(22-11)15(21-3)10-17-23(19,20)14-7-5-13(6-8-14)12(2)18/h4-9,15,17H,10H2,1-3H3
InChIKeyYTOYBGMPOFHMKW-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.93
Rot. Bonds7

About 4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 90598487) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID90598487
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Name4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(C)s1
InChIInChI=1S/C16H19NO4S2/c1-11-4-9-16(22-11)15(21-3)10-17-23(19,20)14-7-5-13(6-8-14)12(2)18/h4-9,15,17H,10H2,1-3H3
InChIKeyYTOYBGMPOFHMKW-UHFFFAOYSA-N
XLogP2.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 71810408
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280
3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417524
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 71810392
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97417544
5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 97417531
1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 90598463
4-(1,1-dioxothiazinan-2-yl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417542
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 71810414
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 71810410

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 90598487) is 4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is COC(CNS(=O)(=O)c1ccc(C(C)=O)cc1)c1ccc(C)s1.
What is the InChIKey of 4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is YTOYBGMPOFHMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-11-4-9-16(22-11)15(21-3)10-17-23(19,20)14-7-5-13(6-8-14)12(2)18/h4-9,15,17H,10H2,1-3H3.
What are the key properties of 4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 353.47 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90598487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).