(2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid

C19H23NO5S — CID 70830666

IUPAC(2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
SMILESCOc1cccc(CCN([C@@H](C)C(=O)O)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO5S/c1-14-7-9-18(10-8-14)26(23,24)20(15(2)19(21)22)12-11-16-5-4-6-17(13-16)25-3/h4-10,13,15H,11-12H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyYTPMNYYHLOOMNM-HNNXBMFYSA-N
MW377.46 g/mol
LogP2.71
Rot. Bonds8

About (2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid

(2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid (PubChem CID 70830666) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is (2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
PubChem CID70830666
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name(2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
SMILESCOc1cccc(CCN([C@@H](C)C(=O)O)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO5S/c1-14-7-9-18(10-8-14)26(23,24)20(15(2)19(21)22)12-11-16-5-4-6-17(13-16)25-3/h4-10,13,15H,11-12H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyYTPMNYYHLOOMNM-HNNXBMFYSA-N
XLogP2.71
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
CID 67639025
2-amino-4-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylbutanoic acid
CID 22250945
N-ethyl-2-[[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132685821
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 125067300
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-methoxyphenyl)methyl]amino]-4-methylpentanamide
CID 71462262
N-(3-methoxyphenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787905
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22907064
methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 5244310
2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetic acid
CID 82129650
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30211848
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid (CID 70830666) is (2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid is COc1cccc(CCN([C@@H](C)C(=O)O)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of (2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid?
The InChIKey is YTPMNYYHLOOMNM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-14-7-9-18(10-8-14)26(23,24)20(15(2)19(21)22)12-11-16-5-4-6-17(13-16)25-3/h4-10,13,15H,11-12H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid?
(2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid has a molecular weight of 377.46 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3-methoxyphenyl)ethyl-(4-methylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 70830666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).