4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide

C14H23N3OS — CID 63981201

IUPAC4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCC(C)CSC)c1
InChIInChI=1S/C14H23N3OS/c1-4-16-14(18)11-5-6-12(15)13(7-11)17-8-10(2)9-19-3/h5-7,10,17H,4,8-9,15H2,1-3H3,(H,16,18)
InChIKeyMMQIBKQWYIEWEO-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.43
Rot. Bonds7

About 4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide

4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide (PubChem CID 63981201) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide
PubChem CID63981201
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCC(C)CSC)c1
InChIInChI=1S/C14H23N3OS/c1-4-16-14(18)11-5-6-12(15)13(7-11)17-8-10(2)9-19-3/h5-7,10,17H,4,8-9,15H2,1-3H3,(H,16,18)
InChIKeyMMQIBKQWYIEWEO-UHFFFAOYSA-N
XLogP2.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166646
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide
CID 107643460
4-amino-N-ethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 55189478
4-amino-N-ethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 63361065
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
ethyl 3-amino-4-[(2-methyl-3-methylsulfanylpropyl)amino]benzoate
CID 63963972
4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
CID 63358449
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide (CID 63981201) is 4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide is CCNC(=O)c1ccc(N)c(NCC(C)CSC)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide?
The InChIKey is MMQIBKQWYIEWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-16-14(18)11-5-6-12(15)13(7-11)17-8-10(2)9-19-3/h5-7,10,17H,4,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide?
4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide has a molecular weight of 281.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]benzamide is sourced from PubChem (CID 63981201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).