(3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide

C24H33N3O6S — CID 92698458

IUPAC(3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1cccc([C@H](CC(=O)NCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)c1OC
InChIInChI=1S/C24H33N3O6S/c1-18-7-9-19(10-8-18)34(29,30)26-21(20-5-4-6-22(31-2)24(20)32-3)17-23(28)25-11-12-27-13-15-33-16-14-27/h4-10,21,26H,11-17H2,1-3H3,(H,25,28)/t21-/m0/s1
InChIKeyJBUSAOBNWLASQS-NRFANRHFSA-N
MW491.61 g/mol
LogP1.87
Rot. Bonds11

About (3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide

(3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 92698458) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is (3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID92698458
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC Name(3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1cccc([C@H](CC(=O)NCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)c1OC
InChIInChI=1S/C24H33N3O6S/c1-18-7-9-19(10-8-18)34(29,30)26-21(20-5-4-6-22(31-2)24(20)32-3)17-23(28)25-11-12-27-13-15-33-16-14-27/h4-10,21,26H,11-17H2,1-3H3,(H,25,28)/t21-/m0/s1
InChIKeyJBUSAOBNWLASQS-NRFANRHFSA-N
XLogP1.87
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 92698413
(3S)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93125176
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016626
2-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994975
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207
3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
CID 119445732
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285223
2-(2,6-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 18892490
N-(2-morpholin-4-ylethyl)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 45106629

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide (CID 92698458) is (3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide is COc1cccc([C@H](CC(=O)NCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)c1OC.
What is the InChIKey of (3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is JBUSAOBNWLASQS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-18-7-9-19(10-8-18)34(29,30)26-21(20-5-4-6-22(31-2)24(20)32-3)17-23(28)25-11-12-27-13-15-33-16-14-27/h4-10,21,26H,11-17H2,1-3H3,(H,25,28)/t21-/m0/s1.
What are the key properties of (3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide?
(3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 491.61 g/mol, XLogP of 1.87, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 92698458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).