(2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide

C13H19NO5S2 — CID 95177968

IUPAC(2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)[C@@H](C)CSC)cc1OC
InChIInChI=1S/C13H19NO5S2/c1-9(8-20-4)13(15)14-21(16,17)10-5-6-11(18-2)12(7-10)19-3/h5-7,9H,8H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyYLYDMLWCDRSQBA-VIFPVBQESA-N
MW333.43 g/mol
LogP1.51
Rot. Bonds7

About (2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide

(2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide (PubChem CID 95177968) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide
PubChem CID95177968
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name(2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)[C@@H](C)CSC)cc1OC
InChIInChI=1S/C13H19NO5S2/c1-9(8-20-4)13(15)14-21(16,17)10-5-6-11(18-2)12(7-10)19-3/h5-7,9H,8H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyYLYDMLWCDRSQBA-VIFPVBQESA-N
XLogP1.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)sulfonyl-3-methylbutanamide
CID 47115056
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244059
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870729
ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
CID 26970116
(2R)-N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 7369499
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 3970526
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 126394180
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 43834722
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 5253893
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylguanidine
CID 7197497

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide (CID 95177968) is (2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide is COc1ccc(S(=O)(=O)NC(=O)[C@@H](C)CSC)cc1OC.
What is the InChIKey of (2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is YLYDMLWCDRSQBA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19NO5S2/c1-9(8-20-4)13(15)14-21(16,17)10-5-6-11(18-2)12(7-10)19-3/h5-7,9H,8H2,1-4H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide?
(2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 333.43 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 95177968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).