N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide

C27H32N2O5S — CID 40730942

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C27H32N2O5S/c1-20(23-7-5-4-6-8-23)29-35(31,32)24-13-9-21(10-14-24)12-16-27(30)28-18-17-22-11-15-25(33-2)26(19-22)34-3/h4-11,13-15,19-20,29H,12,16-18H2,1-3H3,(H,28,30)/t20-/m1/s1
InChIKeyMCJXFWBDILNLHZ-HXUWFJFHSA-N
MW496.63 g/mol
LogP4.03
Rot. Bonds12

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (PubChem CID 40730942) has the molecular formula C27H32N2O5S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
PubChem CID40730942
Molecular FormulaC27H32N2O5S
Molecular Weight496.63 g/mol
Exact Mass496.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C27H32N2O5S/c1-20(23-7-5-4-6-8-23)29-35(31,32)24-13-9-21(10-14-24)12-16-27(30)28-18-17-22-11-15-25(33-2)26(19-22)34-3/h4-11,13-15,19-20,29H,12,16-18H2,1-3H3,(H,28,30)/t20-/m1/s1
InChIKeyMCJXFWBDILNLHZ-HXUWFJFHSA-N
XLogP4.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 42563714
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
N-[(2,6-dimethoxyphenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 133239074
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
CID 30125477
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4197939
3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796384
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 18552568
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 92698426
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (CID 40730942) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is MCJXFWBDILNLHZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H32N2O5S/c1-20(23-7-5-4-6-8-23)29-35(31,32)24-13-9-21(10-14-24)12-16-27(30)28-18-17-22-11-15-25(33-2)26(19-22)34-3/h4-11,13-15,19-20,29H,12,16-18H2,1-3H3,(H,28,30)/t20-/m1/s1.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 496.63 g/mol, XLogP of 4.03, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 40730942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).