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

C14H22N2O4S — CID 27211758

IUPACN-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)CC)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-5-10(3)16-21(18,19)11-7-8-13(20-4)12(9-11)15-14(17)6-2/h7-10,16H,5-6H2,1-4H3,(H,15,17)/t10-/m0/s1
InChIKeyOSEWJLODNLIFLM-JTQLQIEISA-N
MW314.41 g/mol
LogP2.12
Rot. Bonds7

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

N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide (PubChem CID 27211758) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
PubChem CID27211758
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)CC)ccc1OC
InChIInChI=1S/C14H22N2O4S/c1-5-10(3)16-21(18,19)11-7-8-13(20-4)12(9-11)15-14(17)6-2/h7-10,16H,5-6H2,1-4H3,(H,15,17)/t10-/m0/s1
InChIKeyOSEWJLODNLIFLM-JTQLQIEISA-N
XLogP2.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 27211549
N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide
CID 28558016
N-[5-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104873300
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-[5-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104981838
N-[5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxyphenyl]propanamide
CID 28558028
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
2-(2-chlorophenyl)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 100632426
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969973

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide?
The IUPAC name of N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide (CID 27211758) is N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide.
What is the SMILES notation for N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide?
The canonical SMILES for N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide is CCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)CC)ccc1OC.
What is the InChIKey of N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide?
The InChIKey is OSEWJLODNLIFLM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-10(3)16-21(18,19)11-7-8-13(20-4)12(9-11)15-14(17)6-2/h7-10,16H,5-6H2,1-4H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide?
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide has a molecular weight of 314.41 g/mol, XLogP of 2.12, 7 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]propanamide is sourced from PubChem (CID 27211758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).