N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide

C13H18N2O3S — CID 63162861

IUPACN-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C13H18N2O3S/c1-9-3-4-11(14-10(2)16)7-13(9)15-12-5-6-19(17,18)8-12/h3-4,7,12,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyPWYQORUUKILDIS-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.55
Rot. Bonds3

About N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide

N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide (PubChem CID 63162861) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide
PubChem CID63162861
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C13H18N2O3S/c1-9-3-4-11(14-10(2)16)7-13(9)15-12-5-6-19(17,18)8-12/h3-4,7,12,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyPWYQORUUKILDIS-UHFFFAOYSA-N
XLogP1.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
CID 24704399
methyl 3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzoate
CID 60708633
N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide
CID 54981288
N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide
CID 43715791
N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide
CID 80561000
3-[(1,1-dioxothiolan-3-yl)amino]-4-methylbenzenesulfonamide
CID 55158540
tert-butyl N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-fluorophenyl]carbamate
CID 107241040
N-[3-[[4-[(1,1-dioxothiolan-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112921765
N-(2,5-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]-2-methylpyrimidine-4-carboxamide
CID 109372398
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122798
N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
CID 43739606
3-[(1,1-dioxothian-4-yl)amino]-N-ethyl-4-methylbenzamide
CID 43734956

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide (CID 63162861) is N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide?
The InChIKey is PWYQORUUKILDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-3-4-11(14-10(2)16)7-13(9)15-12-5-6-19(17,18)8-12/h3-4,7,12,15H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide?
N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 63162861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).