N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide

C19H25N3O2S2 — CID 119640623

IUPACN-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1
InChIInChI=1S/C19H25N3O2S2/c1-3-19(20,4-2)13-21-18(24)14-7-9-15(10-8-14)22-16(23)12-26-17-6-5-11-25-17/h5-11H,3-4,12-13,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCWOJSHXOAMLKLM-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.73
Rot. Bonds9

About N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide

N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide (PubChem CID 119640623) has the molecular formula C19H25N3O2S2 and a molecular weight of 391.56 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
PubChem CID119640623
Molecular FormulaC19H25N3O2S2
Molecular Weight391.56 g/mol
Exact Mass391.14
IUPAC NameN-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1
InChIInChI=1S/C19H25N3O2S2/c1-3-19(20,4-2)13-21-18(24)14-7-9-15(10-8-14)22-16(23)12-26-17-6-5-11-25-17/h5-11H,3-4,12-13,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyCWOJSHXOAMLKLM-UHFFFAOYSA-N
XLogP3.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 119500918
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 119606296
N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
CID 3334524
N-[2-(6-aminopurin-9-yl)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 146146001
N-(2-methylpiperidin-3-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120576394
N-(3-methylpiperidin-4-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120557228
N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167
N-[4-amino-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylsulfanylacetamide
CID 29295581
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 120808098
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119643191

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide (CID 119640623) is N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide is CCC(N)(CC)CNC(=O)c1ccc(NC(=O)CSc2cccs2)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide?
The InChIKey is CWOJSHXOAMLKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S2/c1-3-19(20,4-2)13-21-18(24)14-7-9-15(10-8-14)22-16(23)12-26-17-6-5-11-25-17/h5-11H,3-4,12-13,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide?
N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide has a molecular weight of 391.56 g/mol, XLogP of 3.73, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 119640623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).