2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide

C19H29N3O4S — CID 71912712

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)C(C(C)C)N1CCCS1(=O)=O
InChIInChI=1S/C19H29N3O4S/c1-14(2)18(22-7-4-12-27(22,24)25)19(23)20-17-6-5-16(13-15(17)3)21-8-10-26-11-9-21/h5-6,13-14,18H,4,7-12H2,1-3H3,(H,20,23)
InChIKeyZHOYKARVCIHJSM-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.83
Rot. Bonds5

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide (PubChem CID 71912712) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide
PubChem CID71912712
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)C(C(C)C)N1CCCS1(=O)=O
InChIInChI=1S/C19H29N3O4S/c1-14(2)18(22-7-4-12-27(22,24)25)19(23)20-17-6-5-16(13-15(17)3)21-8-10-26-11-9-21/h5-6,13-14,18H,4,7-12H2,1-3H3,(H,20,23)
InChIKeyZHOYKARVCIHJSM-UHFFFAOYSA-N
XLogP1.83
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 78896475
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(5-methyl-3-pyridinyl)butanamide
CID 146085800
1-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 94078542
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 34499731
ethyl (2S)-2-(2-methyl-4-morpholin-4-ylanilino)propanoate
CID 141056523
(2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
CID 8007386
(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide
CID 94114535
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 78775437
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
3-(2-hydroxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 46415307
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 110362575

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide (CID 71912712) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide is Cc1cc(N2CCOCC2)ccc1NC(=O)C(C(C)C)N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide?
The InChIKey is ZHOYKARVCIHJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-14(2)18(22-7-4-12-27(22,24)25)19(23)20-17-6-5-16(13-15(17)3)21-8-10-26-11-9-21/h5-6,13-14,18H,4,7-12H2,1-3H3,(H,20,23).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide has a molecular weight of 395.53 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 71912712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).