N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C23H26N2O3S — CID 86961775

IUPACN-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(CSC2CCOCC2)c1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H26N2O3S/c26-22-8-3-11-25(22)20-7-2-5-18(15-20)23(27)24-19-6-1-4-17(14-19)16-29-21-9-12-28-13-10-21/h1-2,4-7,14-15,21H,3,8-13,16H2,(H,24,27)
InChIKeyVMUPSKHXQHZCKV-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.48
Rot. Bonds6

About N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 86961775) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID86961775
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cccc(CSC2CCOCC2)c1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H26N2O3S/c26-22-8-3-11-25(22)20-7-2-5-18(15-20)23(27)24-19-6-1-4-17(14-19)16-29-21-9-12-28-13-10-21/h1-2,4-7,14-15,21H,3,8-13,16H2,(H,24,27)
InChIKeyVMUPSKHXQHZCKV-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide
CID 71875712
3-(2-methylsulfanylimidazol-1-yl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 86961638
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042526
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
N-[4-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014564
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
2-cyclohexylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 134042025
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110618989

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 86961775) is N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1cccc(CSC2CCOCC2)c1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is VMUPSKHXQHZCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c26-22-8-3-11-25(22)20-7-2-5-18(15-20)23(27)24-19-6-1-4-17(14-19)16-29-21-9-12-28-13-10-21/h1-2,4-7,14-15,21H,3,8-13,16H2,(H,24,27).
What are the key properties of N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 86961775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).