(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide

C24H32FN3O5S — CID 55937120

IUPAC(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C24H32FN3O5S/c1-17(2)23(27-34(30,31)21-10-8-20(32-3)9-11-21)24(29)26-16-22(28-12-14-33-15-13-28)18-4-6-19(25)7-5-18/h4-11,17,22-23,27H,12-16H2,1-3H3,(H,26,29)/t22?,23-/m0/s1
InChIKeyOIDUPFJIZCOAER-WCSIJFPASA-N
MW493.60 g/mol
LogP2.33
Rot. Bonds10

About (2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide

(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 55937120) has the molecular formula C24H32FN3O5S and a molecular weight of 493.60 g/mol. Its IUPAC name is (2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
PubChem CID55937120
Molecular FormulaC24H32FN3O5S
Molecular Weight493.60 g/mol
Exact Mass493.20
IUPAC Name(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C24H32FN3O5S/c1-17(2)23(27-34(30,31)21-10-8-20(32-3)9-11-21)24(29)26-16-22(28-12-14-33-15-13-28)18-4-6-19(25)7-5-18/h4-11,17,22-23,27H,12-16H2,1-3H3,(H,26,29)/t22?,23-/m0/s1
InChIKeyOIDUPFJIZCOAER-WCSIJFPASA-N
XLogP2.33
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55813489
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 24980638
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55648266
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
4-fluoro-N-[1-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43006594
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide
CID 55331547

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of (2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide (CID 55937120) is (2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for (2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for (2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide is COc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)C(C)C)cc1.
What is the InChIKey of (2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is OIDUPFJIZCOAER-WCSIJFPASA-N. The full InChI is InChI=1S/C24H32FN3O5S/c1-17(2)23(27-34(30,31)21-10-8-20(32-3)9-11-21)24(29)26-16-22(28-12-14-33-15-13-28)18-4-6-19(25)7-5-18/h4-11,17,22-23,27H,12-16H2,1-3H3,(H,26,29)/t22?,23-/m0/s1.
What are the key properties of (2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide?
(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 493.60 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-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 55937120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).