N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide

C15H20N2O4S — CID 110673351

IUPACN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H20N2O4S/c1-11-3-2-4-12(7-11)8-14(18)16-9-15(19)17-13-5-6-22(20,21)10-13/h2-4,7,13H,5-6,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyVUYBDKQYULSMQN-UHFFFAOYSA-N
MW324.40 g/mol
LogP-0.04
Rot. Bonds5

About N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide (PubChem CID 110673351) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
PubChem CID110673351
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H20N2O4S/c1-11-3-2-4-12(7-11)8-14(18)16-9-15(19)17-13-5-6-22(20,21)10-13/h2-4,7,13H,5-6,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyVUYBDKQYULSMQN-UHFFFAOYSA-N
XLogP-0.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996740
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
N-(1,1-dioxothiolan-3-yl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019597
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide
CID 26512857
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097427
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113042952
1-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135309
3-bromo-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]benzamide
CID 51240327
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-phenylmethoxyacetyl)amino]acetamide
CID 94811329
1-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)ethanone
CID 64904976

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide (CID 110673351) is N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is VUYBDKQYULSMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11-3-2-4-12(7-11)8-14(18)16-9-15(19)17-13-5-6-22(20,21)10-13/h2-4,7,13H,5-6,8-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide?
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 324.40 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 110673351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).