N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide

C16H24N2O7S2 — CID 164663204

IUPACN-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(CC)C1CS(=O)(=O)CC1O
InChIInChI=1S/C16H24N2O7S2/c1-4-18(13-9-26(21,22)10-14(13)20)27(23,24)16-8-12(17-11(3)19)6-7-15(16)25-5-2/h6-8,13-14,20H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyAKIQEATWFYKCOT-UHFFFAOYSA-N
MW420.51 g/mol
LogP0.21
Rot. Bonds7

About N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide

N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 164663204) has the molecular formula C16H24N2O7S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID164663204
Molecular FormulaC16H24N2O7S2
Molecular Weight420.51 g/mol
Exact Mass420.10
IUPAC NameN-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(CC)C1CS(=O)(=O)CC1O
InChIInChI=1S/C16H24N2O7S2/c1-4-18(13-9-26(21,22)10-14(13)20)27(23,24)16-8-12(17-11(3)19)6-7-15(16)25-5-2/h6-8,13-14,20H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyAKIQEATWFYKCOT-UHFFFAOYSA-N
XLogP0.21
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[benzyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide
CID 164663208
N-[3-[[(5-acetamido-2-ethoxyphenyl)sulfonyl-(1,1-dioxothiolan-3-yl)amino]-(1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide
CID 164663221
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 51699027
(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
CID 9470181
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
N-(3,4-diethoxyphenyl)acetamide
CID 13120229

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide (CID 164663204) is N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide is CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(CC)C1CS(=O)(=O)CC1O.
What is the InChIKey of N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is AKIQEATWFYKCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O7S2/c1-4-18(13-9-26(21,22)10-14(13)20)27(23,24)16-8-12(17-11(3)19)6-7-15(16)25-5-2/h6-8,13-14,20H,4-5,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide?
N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 164663204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).