N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide

C17H20N2OS — CID 4631711

IUPACN-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H20N2OS/c1-4-21-16-8-6-5-7-15(16)17(20)18-13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3,(H,18,20)
InChIKeyZQYUVHUWRQTMOZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.12
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide

N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide (PubChem CID 4631711) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
PubChem CID4631711
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H20N2OS/c1-4-21-16-8-6-5-7-15(16)17(20)18-13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3,(H,18,20)
InChIKeyZQYUVHUWRQTMOZ-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide
CID 97105946
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[4-(dimethylamino)phenyl]benzamide
CID 78776545
N-[4-(dimethylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78776573
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406
2-ethylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53285947
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376
dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 2210400
2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624741
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide (CID 4631711) is N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide?
The InChIKey is ZQYUVHUWRQTMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-21-16-8-6-5-7-15(16)17(20)18-13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide?
N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide has a molecular weight of 300.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide is sourced from PubChem (CID 4631711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).