N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide

C20H28N4O5S — CID 167906524

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide
SMILESCCC(NCc1ccccc1CS(=O)(=O)N1CCOCC1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C20H28N4O5S/c1-3-18(20(25)22-19-12-15(2)29-23-19)21-13-16-6-4-5-7-17(16)14-30(26,27)24-8-10-28-11-9-24/h4-7,12,18,21H,3,8-11,13-14H2,1-2H3,(H,22,23,25)
InChIKeyRATHUWUUIRNHOI-UHFFFAOYSA-N
MW436.53 g/mol
LogP1.65
Rot. Bonds9

About N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide (PubChem CID 167906524) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide
PubChem CID167906524
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide
SMILESCCC(NCc1ccccc1CS(=O)(=O)N1CCOCC1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C20H28N4O5S/c1-3-18(20(25)22-19-12-15(2)29-23-19)21-13-16-6-4-5-7-17(16)14-30(26,27)24-8-10-28-11-9-24/h4-7,12,18,21H,3,8-11,13-14H2,1-2H3,(H,22,23,25)
InChIKeyRATHUWUUIRNHOI-UHFFFAOYSA-N
XLogP1.65
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide 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

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide
CID 35789320
(2R)-2-[(2-methoxy-3-pyridinyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35623653
3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 25404526
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119697580
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
(2R)-2-[(4-acetamidophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 32510370
N-[(5-methylthiophen-2-yl)methyl]-1-[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine
CID 119111404
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide
CID 94181888
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
1-(2,4-dimethylphenyl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]methanamine
CID 119111405

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide (CID 167906524) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide is CCC(NCc1ccccc1CS(=O)(=O)N1CCOCC1)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide?
The InChIKey is RATHUWUUIRNHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-3-18(20(25)22-19-12-15(2)29-23-19)21-13-16-6-4-5-7-17(16)14-30(26,27)24-8-10-28-11-9-24/h4-7,12,18,21H,3,8-11,13-14H2,1-2H3,(H,22,23,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide has a molecular weight of 436.53 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylamino]butanamide is sourced from PubChem (CID 167906524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).