N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide

C26H30N2O5S — CID 133239074

IUPACN-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCOc1cccc(OC)c1CNC(=O)CCc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-19(21-8-5-4-6-9-21)28-34(30,31)22-15-12-20(13-16-22)14-17-26(29)27-18-23-24(32-2)10-7-11-25(23)33-3/h4-13,15-16,19,28H,14,17-18H2,1-3H3,(H,27,29)
InChIKeyBHLCENZAPVYJED-UHFFFAOYSA-N
MW482.60 g/mol
LogP3.99
Rot. Bonds11

About N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide

N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 133239074) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID133239074
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCOc1cccc(OC)c1CNC(=O)CCc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-19(21-8-5-4-6-9-21)28-34(30,31)22-15-12-20(13-16-22)14-17-26(29)27-18-23-24(32-2)10-7-11-25(23)33-3/h4-13,15-16,19,28H,14,17-18H2,1-3H3,(H,27,29)
InChIKeyBHLCENZAPVYJED-UHFFFAOYSA-N
XLogP3.99
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 40730942
3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 18552568
N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 4543169
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126234412
N-[(4-methoxyphenyl)methyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1304675
methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate
CID 2211920
methyl 2-[3-[4-(1-phenylethylsulfamoyl)phenyl]propanoylamino]benzoate
CID 2957805
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 43873806
N-[(1R)-1-(3-bromophenyl)ethyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556841
N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 43873824

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (CID 133239074) is N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide is COc1cccc(OC)c1CNC(=O)CCc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is BHLCENZAPVYJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-19(21-8-5-4-6-9-21)28-34(30,31)22-15-12-20(13-16-22)14-17-26(29)27-18-23-24(32-2)10-7-11-25(23)33-3/h4-13,15-16,19,28H,14,17-18H2,1-3H3,(H,27,29).
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 482.60 g/mol, XLogP of 3.99, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 133239074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).