N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide

C19H24N2O6S — CID 28557971

IUPACN-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1NC(C)=O
InChIInChI=1S/C19H24N2O6S/c1-12(14-6-8-18(26-4)19(10-14)27-5)21-28(23,24)15-7-9-17(25-3)16(11-15)20-13(2)22/h6-12,21H,1-5H3,(H,20,22)/t12-/m0/s1
InChIKeyUASZXTRMRRYJLY-LBPRGKRZSA-N
MW408.48 g/mol
LogP2.71
Rot. Bonds8

About N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 28557971) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID28557971
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC NameN-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1NC(C)=O
InChIInChI=1S/C19H24N2O6S/c1-12(14-6-8-18(26-4)19(10-14)27-5)21-28(23,24)15-7-9-17(25-3)16(11-15)20-13(2)22/h6-12,21H,1-5H3,(H,20,22)/t12-/m0/s1
InChIKeyUASZXTRMRRYJLY-LBPRGKRZSA-N
XLogP2.71
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 43874029
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
N-[2-methoxy-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 43906499
N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 9190712
N-[5-[[(1R)-1-(furan-2-yl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8817620
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
N-[5-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104873300
N-[4-[1-(4-fluorophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 4877871
N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8797504
N-[5-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104981838
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 43886103
N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide
CID 28558016

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide (CID 28557971) is N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1NC(C)=O.
What is the InChIKey of N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is UASZXTRMRRYJLY-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-12(14-6-8-18(26-4)19(10-14)27-5)21-28(23,24)15-7-9-17(25-3)16(11-15)20-13(2)22/h6-12,21H,1-5H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 28557971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).