N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane

C20H26N2O2S — CID 145316912

IUPACN-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane
SMILESC/C=C(\C)NC(=O)c1ccccc1NSc1cccc(OC)c1.CC
InChIInChI=1S/C18H20N2O2S.C2H6/c1-4-13(2)19-18(21)16-10-5-6-11-17(16)20-23-15-9-7-8-14(12-15)22-3;1-2/h4-12,20H,1-3H3,(H,19,21);1-2H3/b13-4+;
InChIKeyCROYGUQJAPOWAQ-GAYQJXMFSA-N
MW358.51 g/mol
LogP5.49
Rot. Bonds6

About N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane

N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane (PubChem CID 145316912) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane
PubChem CID145316912
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane
SMILESC/C=C(\C)NC(=O)c1ccccc1NSc1cccc(OC)c1.CC
InChIInChI=1S/C18H20N2O2S.C2H6/c1-4-13(2)19-18(21)16-10-5-6-11-17(16)20-23-15-9-7-8-14(12-15)22-3;1-2/h4-12,20H,1-3H3,(H,19,21);1-2H3/b13-4+;
InChIKeyCROYGUQJAPOWAQ-GAYQJXMFSA-N
XLogP5.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane?
The IUPAC name of N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane (CID 145316912) is N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane is C/C=C(\C)NC(=O)c1ccccc1NSc1cccc(OC)c1.CC.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane?
The InChIKey is CROYGUQJAPOWAQ-GAYQJXMFSA-N. The full InChI is InChI=1S/C18H20N2O2S.C2H6/c1-4-13(2)19-18(21)16-10-5-6-11-17(16)20-23-15-9-7-8-14(12-15)22-3;1-2/h4-12,20H,1-3H3,(H,19,21);1-2H3/b13-4+;.
What are the key properties of N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane?
N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane has a molecular weight of 358.51 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-2-[(3-methoxyphenyl)sulfanylamino]benzamide;ethane is sourced from PubChem (CID 145316912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).