N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide

C21H25NO3S — CID 41076102

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide
SMILESCC(C)CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C21H25NO3S/c1-16(2)14-22(20-12-13-26(24,25)15-20)21(23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3/t20-/m1/s1
InChIKeyOGCQNKMOYIAPAW-HXUWFJFHSA-N
MW371.50 g/mol
LogP3.64
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide (PubChem CID 41076102) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide
PubChem CID41076102
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide
SMILESCC(C)CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C21H25NO3S/c1-16(2)14-22(20-12-13-26(24,25)15-20)21(23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3/t20-/m1/s1
InChIKeyOGCQNKMOYIAPAW-HXUWFJFHSA-N
XLogP3.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-(trifluoromethoxy)benzamide
CID 8001866
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)benzamide
CID 18573583
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-(2-phenylethyl)benzamide
CID 167981858
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-phenylphenoxy)acetamide
CID 8501582
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide
CID 7476902
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide
CID 7259814
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 39902798
N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
CID 665750
N-(1,1-dioxothiolan-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 4535681
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 40774867

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide (CID 41076102) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide is CC(C)CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide?
The InChIKey is OGCQNKMOYIAPAW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-16(2)14-22(20-12-13-26(24,25)15-20)21(23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3/t20-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide has a molecular weight of 371.50 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide is sourced from PubChem (CID 41076102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).