N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide

C22H28N2O6S — CID 100679907

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H28N2O6S/c1-4-19(17-7-10-20(28-2)21(15-17)29-3)23-22(25)16-5-8-18(9-6-16)31(26,27)24-11-13-30-14-12-24/h5-10,15,19H,4,11-14H2,1-3H3,(H,23,25)/t19-/m1/s1
InChIKeyOVZIZZODLGMPKU-LJQANCHMSA-N
MW448.54 g/mol
LogP2.61
Rot. Bonds8

About N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide

N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 100679907) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID100679907
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H28N2O6S/c1-4-19(17-7-10-20(28-2)21(15-17)29-3)23-22(25)16-5-8-18(9-6-16)31(26,27)24-11-13-30-14-12-24/h5-10,15,19H,4,11-14H2,1-3H3,(H,23,25)/t19-/m1/s1
InChIKeyOVZIZZODLGMPKU-LJQANCHMSA-N
XLogP2.61
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680617
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680604
N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189658
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100683262
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 133162026
N-[1-(4-methoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 78625788
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 133161272
N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 133161383
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 43873383
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
N-[1-(3,4-dimethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167146

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide (CID 100679907) is N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide is CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OVZIZZODLGMPKU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-4-19(17-7-10-20(28-2)21(15-17)29-3)23-22(25)16-5-8-18(9-6-16)31(26,27)24-11-13-30-14-12-24/h5-10,15,19H,4,11-14H2,1-3H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 448.54 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 100679907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).