4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide

C17H20N2OS — CID 63209394

IUPAC4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide
SMILESCCNc1ccc(C(=O)Nc2ccc(SC)cc2)cc1C
InChIInChI=1S/C17H20N2OS/c1-4-18-16-10-5-13(11-12(16)2)17(20)19-14-6-8-15(21-3)9-7-14/h5-11,18H,4H2,1-3H3,(H,19,20)
InChIKeyMODOCVLSDDUXDS-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.40
Rot. Bonds5

About 4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide

4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 63209394) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide
PubChem CID63209394
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide
SMILESCCNc1ccc(C(=O)Nc2ccc(SC)cc2)cc1C
InChIInChI=1S/C17H20N2OS/c1-4-18-16-10-5-13(11-12(16)2)17(20)19-14-6-8-15(21-3)9-7-14/h5-11,18H,4H2,1-3H3,(H,19,20)
InChIKeyMODOCVLSDDUXDS-UHFFFAOYSA-N
XLogP4.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
4-(ethylamino)-N-(3-fluoro-5-methylphenyl)-3-methylbenzamide
CID 79046684
N-(3,5-dichlorophenyl)-4-(ethylamino)-3-methylbenzamide
CID 63501283
4-(ethylamino)-3-methyl-N-thiophen-3-ylbenzamide
CID 66354623
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63210459
4-(ethylamino)-N-(6-methoxy-3-pyridinyl)-3-methylbenzamide
CID 63210411
4-(ethylamino)-6-methyl-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide
CID 81237833
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
CID 43980967
N-(4-ethylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63210110
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide (CID 63209394) is 4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide is CCNc1ccc(C(=O)Nc2ccc(SC)cc2)cc1C.
What is the InChIKey of 4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is MODOCVLSDDUXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-18-16-10-5-13(11-12(16)2)17(20)19-14-6-8-15(21-3)9-7-14/h5-11,18H,4H2,1-3H3,(H,19,20).
What are the key properties of 4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide?
4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 300.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 63209394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).