N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide

C23H23NO3S2 — CID 40920119

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C23H23NO3S2/c25-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)24(16-21-12-7-14-28-21)20-13-15-29(26,27)17-20/h1-12,14,20,22H,13,15-17H2/t20-/m1/s1
InChIKeyXABCXCULNWIETR-HXUWFJFHSA-N
MW425.58 g/mol
LogP4.10
Rot. Bonds6

About N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 40920119) has the molecular formula C23H23NO3S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID40920119
Molecular FormulaC23H23NO3S2
Molecular Weight425.58 g/mol
Exact Mass425.11
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C23H23NO3S2/c25-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)24(16-21-12-7-14-28-21)20-13-15-29(26,27)17-20/h1-12,14,20,22H,13,15-17H2/t20-/m1/s1
InChIKeyXABCXCULNWIETR-HXUWFJFHSA-N
XLogP4.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Proline scaffold, 28
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CID 44264854
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide (CID 40920119) is N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide is O=C(C(c1ccccc1)c1ccccc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XABCXCULNWIETR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23NO3S2/c25-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)24(16-21-12-7-14-28-21)20-13-15-29(26,27)17-20/h1-12,14,20,22H,13,15-17H2/t20-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 425.58 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 40920119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).