4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide

C23H24N2OS — CID 55986022

IUPAC4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2OS/c1-17(19-6-4-3-5-7-19)24-21-12-14-22(15-13-21)25-23(26)20-10-8-18(9-11-20)16-27-2/h3-15,17,24H,16H2,1-2H3,(H,25,26)
InChIKeyUNBZCZMWOSYLST-UHFFFAOYSA-N
MW376.53 g/mol
LogP5.97
Rot. Bonds7

About 4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide

4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide (PubChem CID 55986022) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide
PubChem CID55986022
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2OS/c1-17(19-6-4-3-5-7-19)24-21-12-14-22(15-13-21)25-23(26)20-10-8-18(9-11-20)16-27-2/h3-15,17,24H,16H2,1-2H3,(H,25,26)
InChIKeyUNBZCZMWOSYLST-UHFFFAOYSA-N
XLogP5.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 33036805
N-phenyl-4-[(1-phenylethylamino)methyl]benzamide
CID 17476101
N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 46518330
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide
CID 119769536
3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 112982231
N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232942
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide
CID 46468865
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
CID 2526021
[4-(1-phenylethylamino)phenyl]methanol
CID 112706513

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide?
The IUPAC name of 4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide (CID 55986022) is 4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide.
What is the SMILES notation for 4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide?
The canonical SMILES for 4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide is CSCc1ccc(C(=O)Nc2ccc(NC(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide?
The InChIKey is UNBZCZMWOSYLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-17(19-6-4-3-5-7-19)24-21-12-14-22(15-13-21)25-23(26)20-10-8-18(9-11-20)16-27-2/h3-15,17,24H,16H2,1-2H3,(H,25,26).
What are the key properties of 4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide?
4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide has a molecular weight of 376.53 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide is sourced from PubChem (CID 55986022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).