N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide

C19H22N2O5S — CID 166237614

IUPACN-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide
SMILESCO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(22)20-16-7-3-14(4-8-16)15-5-9-17(10-6-15)27(23,24)21-18-11-26-12-19(18)25-2/h3-10,18-19,21H,11-12H2,1-2H3,(H,20,22)/t18-,19+/m0/s1
InChIKeyCCIAUMCGBXCMEW-RBUKOAKNSA-N
MW390.46 g/mol
LogP2.00
Rot. Bonds6

About N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide

N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide (PubChem CID 166237614) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide
PubChem CID166237614
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide
SMILESCO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-13(22)20-16-7-3-14(4-8-16)15-5-9-17(10-6-15)27(23,24)21-18-11-26-12-19(18)25-2/h3-10,18-19,21H,11-12H2,1-2H3,(H,20,22)/t18-,19+/m0/s1
InChIKeyCCIAUMCGBXCMEW-RBUKOAKNSA-N
XLogP2.00
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide
CID 67615689
N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
CID 27059218
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
[3-[(4-acetamidophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate
CID 73133210
4-[[(3S,4R)-4-methoxyoxolan-3-yl]sulfamoyl]-N-methylthiophene-2-carboxamide
CID 131910790
N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide
CID 117032057
methyl 2-[[4-(4-acetamidophenyl)phenyl]sulfonylamino]propanoate
CID 17441403
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]acetamide
CID 43597864
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]phenyl]acetamide
CID 114631628
N-[(3R,4S)-3-methoxyoxan-4-yl]-4-(1-methylindazol-6-yl)benzenesulfonamide
CID 171388864

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide (CID 166237614) is N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide is CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide?
The InChIKey is CCIAUMCGBXCMEW-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(22)20-16-7-3-14(4-8-16)15-5-9-17(10-6-15)27(23,24)21-18-11-26-12-19(18)25-2/h3-10,18-19,21H,11-12H2,1-2H3,(H,20,22)/t18-,19+/m0/s1.
What are the key properties of N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide?
N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 166237614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).