(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide

C21H28N2O6S — CID 28538711

IUPAC(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide
SMILESCOC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28N2O6S/c1-15(14-27-2)22-21(24)18(12-16-8-6-5-7-9-16)23-30(25,26)17-10-11-19(28-3)20(13-17)29-4/h5-11,13,15,18,23H,12,14H2,1-4H3,(H,22,24)/t15-,18+/m0/s1
InChIKeyYUMDHBOPGDILGI-MAUKXSAKSA-N
MW436.53 g/mol
LogP1.74
Rot. Bonds11

About (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide

(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide (PubChem CID 28538711) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide
PubChem CID28538711
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC Name(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide
SMILESCOC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28N2O6S/c1-15(14-27-2)22-21(24)18(12-16-8-6-5-7-9-16)23-30(25,26)17-10-11-19(28-3)20(13-17)29-4/h5-11,13,15,18,23H,12,14H2,1-4H3,(H,22,24)/t15-,18+/m0/s1
InChIKeyYUMDHBOPGDILGI-MAUKXSAKSA-N
XLogP1.74
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]-3-phenylpropanamide
CID 28538642
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870729
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538757
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28538128
2-[(4-fluorophenyl)sulfonylamino]-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 43871290
(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141
(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541476
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 43906642
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 43870750
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860886
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 94860943

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide (CID 28538711) is (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide is COC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide?
The InChIKey is YUMDHBOPGDILGI-MAUKXSAKSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-15(14-27-2)22-21(24)18(12-16-8-6-5-7-9-16)23-30(25,26)17-10-11-19(28-3)20(13-17)29-4/h5-11,13,15,18,23H,12,14H2,1-4H3,(H,22,24)/t15-,18+/m0/s1.
What are the key properties of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide?
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide has a molecular weight of 436.53 g/mol, XLogP of 1.74, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 28538711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).