(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide

C18H21ClN2O5S — CID 27647424

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H21ClN2O5S/c1-12(21-27(23,24)15-7-5-14(19)6-8-15)18(22)20-11-13-4-9-16(25-2)17(10-13)26-3/h4-10,12,21H,11H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyXEQRLTDKUIZSLA-LBPRGKRZSA-N
MW412.90 g/mol
LogP2.34
Rot. Bonds8

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 27647424) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
PubChem CID27647424
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H21ClN2O5S/c1-12(21-27(23,24)15-7-5-14(19)6-8-15)18(22)20-11-13-4-9-16(25-2)17(10-13)26-3/h4-10,12,21H,11H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyXEQRLTDKUIZSLA-LBPRGKRZSA-N
XLogP2.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43872765
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 40932030
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide
CID 55939954
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 43834722
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261269
N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide
CID 6493576
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylpropanamide
CID 94025525
(2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41302643
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28561695

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide (CID 27647424) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The InChIKey is XEQRLTDKUIZSLA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-12(21-27(23,24)15-7-5-14(19)6-8-15)18(22)20-11-13-4-9-16(25-2)17(10-13)26-3/h4-10,12,21H,11H2,1-3H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 412.90 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 27647424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).