N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide

C13H18N2O6S — CID 67615689

IUPACN-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2COCOC[C@H]2O)cc1
InChIInChI=1S/C13H18N2O6S/c1-9(16)14-10-2-4-11(5-3-10)22(18,19)15-12-6-20-8-21-7-13(12)17/h2-5,12-13,15,17H,6-8H2,1H3,(H,14,16)/t12-,13-/m1/s1
InChIKeyWERWVEUXZQOGMO-CHWSQXEVSA-N
MW330.36 g/mol
LogP-0.34
Rot. Bonds4

About N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide (PubChem CID 67615689) has the molecular formula C13H18N2O6S and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide
PubChem CID67615689
Molecular FormulaC13H18N2O6S
Molecular Weight330.36 g/mol
Exact Mass330.09
IUPAC NameN-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2COCOC[C@H]2O)cc1
InChIInChI=1S/C13H18N2O6S/c1-9(16)14-10-2-4-11(5-3-10)22(18,19)15-12-6-20-8-21-7-13(12)17/h2-5,12-13,15,17H,6-8H2,1H3,(H,14,16)/t12-,13-/m1/s1
InChIKeyWERWVEUXZQOGMO-CHWSQXEVSA-N
XLogP-0.34
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
CID 27059218
N-[4-[4-[[(3S,4S)-4-methoxyoxolan-3-yl]sulfamoyl]phenyl]phenyl]acetamide
CID 166237614
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
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-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
CID 94064827
N-[4-(oxetan-3-ylmethylsulfonyl)phenyl]acetamide
CID 117032057
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
[3-[(4-acetamidophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-methoxyphenyl)carbamate
CID 73133210
N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113065192
N-[4-[2-[acetyl(cyclopentyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113052884

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide (CID 67615689) is N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2COCOC[C@H]2O)cc1.
What is the InChIKey of N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is WERWVEUXZQOGMO-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18N2O6S/c1-9(16)14-10-2-4-11(5-3-10)22(18,19)15-12-6-20-8-21-7-13(12)17/h2-5,12-13,15,17H,6-8H2,1H3,(H,14,16)/t12-,13-/m1/s1.
What are the key properties of N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 330.36 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5R,6S)-6-hydroxy-1,3-dioxepan-5-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 67615689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).