N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide

C16H24N2O3S — CID 51107108

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCS(=O)(=O)C2)C(C)C)cc1
InChIInChI=1S/C16H24N2O3S/c1-12(2)18(15-6-4-13(3)5-7-15)10-16(19)17-14-8-9-22(20,21)11-14/h4-7,12,14H,8-11H2,1-3H3,(H,17,19)
InChIKeyNROJAAMQFVWNEU-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.51
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide (PubChem CID 51107108) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide
PubChem CID51107108
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCS(=O)(=O)C2)C(C)C)cc1
InChIInChI=1S/C16H24N2O3S/c1-12(2)18(15-6-4-13(3)5-7-15)10-16(19)17-14-8-9-22(20,21)11-14/h4-7,12,14H,8-11H2,1-3H3,(H,17,19)
InChIKeyNROJAAMQFVWNEU-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide (CID 51107108) is N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide is Cc1ccc(N(CC(=O)NC2CCS(=O)(=O)C2)C(C)C)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide?
The InChIKey is NROJAAMQFVWNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(2)18(15-6-4-13(3)5-7-15)10-16(19)17-14-8-9-22(20,21)11-14/h4-7,12,14H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide has a molecular weight of 324.45 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-methyl-N-propan-2-ylanilino)acetamide is sourced from PubChem (CID 51107108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).