N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide

C17H16N2O2S — CID 13258644

IUPACN-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide
SMILESC/C=C/S(=N\C(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-2-13-22(18-16(20)14-9-5-3-6-10-14)19-17(21)15-11-7-4-8-12-15/h2-13H,1H3,(H,18,19,20,21)/b13-2+
InChIKeyZUAJOZZQCYFWBG-XNJYKOPJSA-N
MW312.39 g/mol
LogP3.51
Rot. Bonds4

About N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide

N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide (PubChem CID 13258644) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide.

Molecular Properties

Compound NameN-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide
PubChem CID13258644
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide
SMILESC/C=C/S(=N\C(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-2-13-22(18-16(20)14-9-5-3-6-10-14)19-17(21)15-11-7-4-8-12-15/h2-13H,1H3,(H,18,19,20,21)/b13-2+
InChIKeyZUAJOZZQCYFWBG-XNJYKOPJSA-N
XLogP3.51
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide
CID 3837966
N-tert-butylsulfinylbenzamide
CID 132577601
N-methylbenzamide
CID 11954
CID 131851272
CID 131851272
(E)-2-benzamidobut-2-enoic acid
CID 15472529
ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
CID 142217510
N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide
CID 149306381
N-methylbenzamide;molecular hydrogen
CID 142972595
lithium;hydride;N-methylbenzamide
CID 173287348
N-penta-1,3-dien-3-ylbenzamide
CID 76693459
ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
CID 145162824
[(Z)-prop-1-enyl] benzoate
CID 11412549

Frequently Asked Questions

What is the IUPAC name of N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide?
The IUPAC name of N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide (CID 13258644) is N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide.
What is the SMILES notation for N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide?
The canonical SMILES for N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide is C/C=C/S(=N\C(=O)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide?
The InChIKey is ZUAJOZZQCYFWBG-XNJYKOPJSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-13-22(18-16(20)14-9-5-3-6-10-14)19-17(21)15-11-7-4-8-12-15/h2-13H,1H3,(H,18,19,20,21)/b13-2+.
What are the key properties of N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide?
N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide has a molecular weight of 312.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide is sourced from PubChem (CID 13258644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).