N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide

C16H15NO3S — CID 162400578

IUPACN-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide
SMILESCC(=O)N/C(=C\S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO3S/c1-13(18)17-16(14-8-4-2-5-9-14)12-21(19,20)15-10-6-3-7-11-15/h2-12H,1H3,(H,17,18)/b16-12-
InChIKeyYPSSVJKYVWPNBB-VBKFSLOCSA-N
MW301.37 g/mol
LogP2.60
Rot. Bonds4

About N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide

N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide (PubChem CID 162400578) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide
PubChem CID162400578
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC NameN-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide
SMILESCC(=O)N/C(=C\S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO3S/c1-13(18)17-16(14-8-4-2-5-9-14)12-21(19,20)15-10-6-3-7-11-15/h2-12H,1H3,(H,17,18)/b16-12-
InChIKeyYPSSVJKYVWPNBB-VBKFSLOCSA-N
XLogP2.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide?
The IUPAC name of N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide (CID 162400578) is N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide.
What is the SMILES notation for N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide?
The canonical SMILES for N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide is CC(=O)N/C(=C\S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide?
The InChIKey is YPSSVJKYVWPNBB-VBKFSLOCSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-13(18)17-16(14-8-4-2-5-9-14)12-21(19,20)15-10-6-3-7-11-15/h2-12H,1H3,(H,17,18)/b16-12-.
What are the key properties of N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide?
N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide has a molecular weight of 301.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide is sourced from PubChem (CID 162400578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).