(3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide

C17H26N2O3S — CID 39965936

IUPAC(3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N2O3S/c1-12(2)15-6-4-5-7-16(15)19-17(20)10-13(3)18-14-8-9-23(21,22)11-14/h4-7,12-14,18H,8-11H2,1-3H3,(H,19,20)/t13-,14+/m0/s1
InChIKeyGXXFLGXLBLCTFB-UONOGXRCSA-N
MW338.47 g/mol
LogP2.30
Rot. Bonds6

About (3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide

(3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide (PubChem CID 39965936) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name(3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide
PubChem CID39965936
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H26N2O3S/c1-12(2)15-6-4-5-7-16(15)19-17(20)10-13(3)18-14-8-9-23(21,22)11-14/h4-7,12-14,18H,8-11H2,1-3H3,(H,19,20)/t13-,14+/m0/s1
InChIKeyGXXFLGXLBLCTFB-UONOGXRCSA-N
XLogP2.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide with MolForge

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Related Compounds

(3S)-3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-N-(4-methylphenyl)butanamide
CID 9453372
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(2-propan-2-ylphenyl)propanediamide
CID 108949220
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113165044
2-[ethyl-[3-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-yl]amino]cyclobutyl]amino]acetic acid
CID 122042725
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121662
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine
CID 43177589
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide?
The IUPAC name of (3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide (CID 39965936) is (3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide.
What is the SMILES notation for (3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide?
The canonical SMILES for (3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide is CC(C)c1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide?
The InChIKey is GXXFLGXLBLCTFB-UONOGXRCSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12(2)15-6-4-5-7-16(15)19-17(20)10-13(3)18-14-8-9-23(21,22)11-14/h4-7,12-14,18H,8-11H2,1-3H3,(H,19,20)/t13-,14+/m0/s1.
What are the key properties of (3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide?
(3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide has a molecular weight of 338.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 39965936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).