(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide

C17H18Cl2N2O5S — CID 40881956

IUPAC(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C17H18Cl2N2O5S/c1-10(21-27(23,24)16-12(18)5-4-6-13(16)19)17(22)20-14-8-7-11(25-2)9-15(14)26-3/h4-10,21H,1-3H3,(H,20,22)/t10-/m0/s1
InChIKeyJATZWHHRABNSTC-JTQLQIEISA-N
MW433.31 g/mol
LogP3.32
Rot. Bonds7

About (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide

(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 40881956) has the molecular formula C17H18Cl2N2O5S and a molecular weight of 433.31 g/mol. Its IUPAC name is (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID40881956
Molecular FormulaC17H18Cl2N2O5S
Molecular Weight433.31 g/mol
Exact Mass432.03
IUPAC Name(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C17H18Cl2N2O5S/c1-10(21-27(23,24)16-12(18)5-4-6-13(16)19)17(22)20-14-8-7-11(25-2)9-15(14)26-3/h4-10,21H,1-3H3,(H,20,22)/t10-/m0/s1
InChIKeyJATZWHHRABNSTC-JTQLQIEISA-N
XLogP3.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339682
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)propanamide
CID 7318747
(2S)-N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 2224879
2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
CID 5105223
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chlorophenyl)propanamide
CID 3885405
(2R)-N-(2,5-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339684
N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
CID 46799719
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
(2R)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 1210914
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 40932005
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide (CID 40881956) is (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)c(OC)c1.
What is the InChIKey of (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is JATZWHHRABNSTC-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18Cl2N2O5S/c1-10(21-27(23,24)16-12(18)5-4-6-13(16)19)17(22)20-14-8-7-11(25-2)9-15(14)26-3/h4-10,21H,1-3H3,(H,20,22)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide?
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 433.31 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 40881956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).