N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide

C19H21NO3S — CID 134054105

IUPACN-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO3S/c1-20(19(21)18-11-12-24(22,23)14-18)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyUDAIVSHACOPDDV-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.75
Rot. Bonds4

About N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide

N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide (PubChem CID 134054105) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide
PubChem CID134054105
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO3S/c1-20(19(21)18-11-12-24(22,23)14-18)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3
InChIKeyUDAIVSHACOPDDV-UHFFFAOYSA-N
XLogP2.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide?
The IUPAC name of N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide (CID 134054105) is N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide.
What is the SMILES notation for N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide?
The canonical SMILES for N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide is CN(Cc1ccc(-c2ccccc2)cc1)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide?
The InChIKey is UDAIVSHACOPDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-20(19(21)18-11-12-24(22,23)14-18)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide?
N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-[(4-phenylphenyl)methyl]thiolane-3-carboxamide is sourced from PubChem (CID 134054105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).