N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide

C17H20N2OS — CID 79213773

IUPACN-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(SC)cc1
InChIInChI=1S/C17H20N2OS/c1-3-18-12-14-6-4-5-7-16(14)19-17(20)13-8-10-15(21-2)11-9-13/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyHVEMXXXFSLGPKP-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide

N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide (PubChem CID 79213773) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
PubChem CID79213773
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(SC)cc1
InChIInChI=1S/C17H20N2OS/c1-3-18-12-14-6-4-5-7-16(14)19-17(20)13-8-10-15(21-2)11-9-13/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyHVEMXXXFSLGPKP-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-methylsulfanylbenzoyl)amino]phenyl]acetic acid
CID 62536865
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide
CID 119440330
N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 119439770
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119439579

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide (CID 79213773) is N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide is CCNCc1ccccc1NC(=O)c1ccc(SC)cc1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide?
The InChIKey is HVEMXXXFSLGPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-3-18-12-14-6-4-5-7-16(14)19-17(20)13-8-10-15(21-2)11-9-13/h4-11,18H,3,12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide?
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide has a molecular weight of 300.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 79213773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).