4-[(2-ethylsulfanylanilino)methyl]benzamide

C16H18N2OS — CID 60936340

IUPAC4-[(2-ethylsulfanylanilino)methyl]benzamide
SMILESCCSc1ccccc1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H18N2OS/c1-2-20-15-6-4-3-5-14(15)18-11-12-7-9-13(10-8-12)16(17)19/h3-10,18H,2,11H2,1H3,(H2,17,19)
InChIKeyDKCLPCCQNJRRTD-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.51
Rot. Bonds6

About 4-[(2-ethylsulfanylanilino)methyl]benzamide

4-[(2-ethylsulfanylanilino)methyl]benzamide (PubChem CID 60936340) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-[(2-ethylsulfanylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-ethylsulfanylanilino)methyl]benzamide
PubChem CID60936340
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name4-[(2-ethylsulfanylanilino)methyl]benzamide
SMILESCCSc1ccccc1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H18N2OS/c1-2-20-15-6-4-3-5-14(15)18-11-12-7-9-13(10-8-12)16(17)19/h3-10,18H,2,11H2,1H3,(H2,17,19)
InChIKeyDKCLPCCQNJRRTD-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylsulfanylanilino)methyl]benzamide?
The IUPAC name of 4-[(2-ethylsulfanylanilino)methyl]benzamide (CID 60936340) is 4-[(2-ethylsulfanylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(2-ethylsulfanylanilino)methyl]benzamide?
The canonical SMILES for 4-[(2-ethylsulfanylanilino)methyl]benzamide is CCSc1ccccc1NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-ethylsulfanylanilino)methyl]benzamide?
The InChIKey is DKCLPCCQNJRRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-20-15-6-4-3-5-14(15)18-11-12-7-9-13(10-8-12)16(17)19/h3-10,18H,2,11H2,1H3,(H2,17,19).
What are the key properties of 4-[(2-ethylsulfanylanilino)methyl]benzamide?
4-[(2-ethylsulfanylanilino)methyl]benzamide has a molecular weight of 286.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylsulfanylanilino)methyl]benzamide is sourced from PubChem (CID 60936340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).