3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide

C16H16N2O3S — CID 11659682

IUPAC3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide
SMILESNC(=O)CS(=O)Cc1ccccc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C16H16N2O3S/c17-15(19)10-22(21)9-13-4-1-2-7-14(13)11-5-3-6-12(8-11)16(18)20/h1-8H,9-10H2,(H2,17,19)(H2,18,20)
InChIKeyFRUVSAVKEBRBTR-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.19
Rot. Bonds6

About 3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide

3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide (PubChem CID 11659682) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide
PubChem CID11659682
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide
SMILESNC(=O)CS(=O)Cc1ccccc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C16H16N2O3S/c17-15(19)10-22(21)9-13-4-1-2-7-14(13)11-5-3-6-12(8-11)16(18)20/h1-8H,9-10H2,(H2,17,19)(H2,18,20)
InChIKeyFRUVSAVKEBRBTR-UHFFFAOYSA-N
XLogP1.19
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide?
The IUPAC name of 3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide (CID 11659682) is 3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide.
What is the SMILES notation for 3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide?
The canonical SMILES for 3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide is NC(=O)CS(=O)Cc1ccccc1-c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide?
The InChIKey is FRUVSAVKEBRBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c17-15(19)10-22(21)9-13-4-1-2-7-14(13)11-5-3-6-12(8-11)16(18)20/h1-8H,9-10H2,(H2,17,19)(H2,18,20).
What are the key properties of 3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide?
3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide has a molecular weight of 316.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-amino-2-oxoethyl)sulfinylmethyl]phenyl]benzamide is sourced from PubChem (CID 11659682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).