(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide

C18H29N3O5S — CID 119693241

IUPAC(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
SMILESCCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H29N3O5S/c1-4-26-16-6-5-14(20-18(22)15(19)11-13(2)3)12-17(16)27(23,24)21-7-9-25-10-8-21/h5-6,12-13,15H,4,7-11,19H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyYYKIHICGCCIIGB-HNNXBMFYSA-N
MW399.51 g/mol
LogP1.42
Rot. Bonds8

About (2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide

(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide (PubChem CID 119693241) has the molecular formula C18H29N3O5S and a molecular weight of 399.51 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
PubChem CID119693241
Molecular FormulaC18H29N3O5S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC Name(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
SMILESCCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H29N3O5S/c1-4-26-16-6-5-14(20-18(22)15(19)11-13(2)3)12-17(16)27(23,24)21-7-9-25-10-8-21/h5-6,12-13,15H,4,7-11,19H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyYYKIHICGCCIIGB-HNNXBMFYSA-N
XLogP1.42
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpentanamide;hydrochloride
CID 119687734
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride
CID 119688751
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-2-phenylpropanamide
CID 46532531
3-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 119693225
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24644740
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9050102
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 55874596
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55645447
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 21174722

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide (CID 119693241) is (2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide is CCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide?
The InChIKey is YYKIHICGCCIIGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O5S/c1-4-26-16-6-5-14(20-18(22)15(19)11-13(2)3)12-17(16)27(23,24)21-7-9-25-10-8-21/h5-6,12-13,15H,4,7-11,19H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide?
(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide has a molecular weight of 399.51 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide is sourced from PubChem (CID 119693241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).