(2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C20H26N2O6S — CID 55950157

IUPAC(2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOCCOc1cc(C)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O6S/c1-14-5-10-18(19(13-14)28-12-11-26-3)21-20(23)15(2)22-29(24,25)17-8-6-16(27-4)7-9-17/h5-10,13,15,22H,11-12H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyYDYSJZMLABAFMN-HNNXBMFYSA-N
MW422.50 g/mol
LogP2.33
Rot. Bonds10

About (2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

(2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 55950157) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is (2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID55950157
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name(2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOCCOc1cc(C)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O6S/c1-14-5-10-18(19(13-14)28-12-11-26-3)21-20(23)15(2)22-29(24,25)17-8-6-16(27-4)7-9-17/h5-10,13,15,22H,11-12H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyYDYSJZMLABAFMN-HNNXBMFYSA-N
XLogP2.33
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473390
(2R)-N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 7473389
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
(2R)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 1210914
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939174
(2R)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339682
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide
CID 39471769
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3943319
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124549862

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 55950157) is (2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is COCCOc1cc(C)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of (2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is YDYSJZMLABAFMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-14-5-10-18(19(13-14)28-12-11-26-3)21-20(23)15(2)22-29(24,25)17-8-6-16(27-4)7-9-17/h5-10,13,15,22H,11-12H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
(2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 422.50 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55950157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).