N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide

C19H22N2O3S — CID 112983871

IUPACN-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide
SMILESCN(c1ccc(NC(=O)Cc2ccccc2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H22N2O3S/c1-21(18-11-12-25(23,24)14-18)17-9-7-16(8-10-17)20-19(22)13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,20,22)
InChIKeyQHJRQXZFUKYNEH-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.49
Rot. Bonds5

About N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide

N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide (PubChem CID 112983871) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide
PubChem CID112983871
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide
SMILESCN(c1ccc(NC(=O)Cc2ccccc2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H22N2O3S/c1-21(18-11-12-25(23,24)14-18)17-9-7-16(8-10-17)20-19(22)13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,20,22)
InChIKeyQHJRQXZFUKYNEH-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]acetamide
CID 112983873
2-(4-acetamidophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17480753
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113013706
4-[(1,1-dioxothiolan-3-yl)-methylamino]benzoic acid
CID 43648875
N-[5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113028710
1-[[4-(dimethylamino)phenyl]methyl]-1-(1,1-dioxothiolan-3-yl)-3-phenylurea
CID 18883799
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide
CID 112983863
N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
CID 102566702
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113013692
N-[4-(chloromethyl)phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648929
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide (CID 112983871) is N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide is CN(c1ccc(NC(=O)Cc2ccccc2)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide?
The InChIKey is QHJRQXZFUKYNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-21(18-11-12-25(23,24)14-18)17-9-7-16(8-10-17)20-19(22)13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,20,22).
What are the key properties of N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide?
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide has a molecular weight of 358.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 112983871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).