(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide

C17H20N2O5S — CID 51432486

IUPAC(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O5S/c1-12(19-25(21,22)14-7-5-4-6-8-14)17(20)18-13-9-10-15(23-2)16(11-13)24-3/h4-12,19H,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyLLOPLOQVIUFZFQ-LBPRGKRZSA-N
MW364.42 g/mol
LogP2.01
Rot. Bonds7

About (2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide

(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 51432486) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID51432486
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O5S/c1-12(19-25(21,22)14-7-5-4-6-8-14)17(20)18-13-9-10-15(23-2)16(11-13)24-3/h4-12,19H,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyLLOPLOQVIUFZFQ-LBPRGKRZSA-N
XLogP2.01
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 5253893
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylphenyl)propanamide
CID 5034274
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide
CID 9445871
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 126394180
(2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41302643
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
CID 2955850
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide (CID 51432486) is (2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is LLOPLOQVIUFZFQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-12(19-25(21,22)14-7-5-4-6-8-14)17(20)18-13-9-10-15(23-2)16(11-13)24-3/h4-12,19H,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide?
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 364.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 51432486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).