N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide

C13H20N2O4S — CID 8777670

IUPACN-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-5-9(2)15-20(17,18)11-6-7-13(19-4)12(8-11)14-10(3)16/h6-9,15H,5H2,1-4H3,(H,14,16)/t9-/m0/s1
InChIKeyFCLPZRBYBDWIMP-VIFPVBQESA-N
MW300.38 g/mol
LogP1.73
Rot. Bonds6

About N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 8777670) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID8777670
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-5-9(2)15-20(17,18)11-6-7-13(19-4)12(8-11)14-10(3)16/h6-9,15H,5H2,1-4H3,(H,14,16)/t9-/m0/s1
InChIKeyFCLPZRBYBDWIMP-VIFPVBQESA-N
XLogP1.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
CID 27211758
N-[5-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104873300
N-[5-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104981838
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 9190712
N-[2-methoxy-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 43906499
N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 43874029
methyl 2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylpentanoate
CID 18532455
N-[5-[[(1R)-1-(furan-2-yl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8817620
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8797504
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide (CID 8777670) is N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide is CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1.
What is the InChIKey of N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is FCLPZRBYBDWIMP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-5-9(2)15-20(17,18)11-6-7-13(19-4)12(8-11)14-10(3)16/h6-9,15H,5H2,1-4H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 8777670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).