N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide

C19H25N3O2S2 — CID 119606296

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1
InChIInChI=1S/C19H25N3O2S2/c1-13(2)19(3,12-20)22-18(24)14-6-8-15(9-7-14)21-16(23)11-26-17-5-4-10-25-17/h4-10,13H,11-12,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAYFRZVQAZGNRCN-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.58
Rot. Bonds8

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide (PubChem CID 119606296) has the molecular formula C19H25N3O2S2 and a molecular weight of 391.56 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
PubChem CID119606296
Molecular FormulaC19H25N3O2S2
Molecular Weight391.56 g/mol
Exact Mass391.14
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1
InChIInChI=1S/C19H25N3O2S2/c1-13(2)19(3,12-20)22-18(24)14-6-8-15(9-7-14)21-16(23)11-26-17-5-4-10-25-17/h4-10,13H,11-12,20H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAYFRZVQAZGNRCN-UHFFFAOYSA-N
XLogP3.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide with MolForge

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 119640623
N-[2-(methylamino)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide;hydrochloride
CID 119500918
N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride
CID 119607871
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119607897
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
CID 3334524
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 119607400
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 120808098
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-(6-aminopurin-9-yl)ethyl]-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide
CID 146146001

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide (CID 119606296) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide is CC(C)C(C)(CN)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide?
The InChIKey is AYFRZVQAZGNRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S2/c1-13(2)19(3,12-20)22-18(24)14-6-8-15(9-7-14)21-16(23)11-26-17-5-4-10-25-17/h4-10,13H,11-12,20H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide has a molecular weight of 391.56 g/mol, XLogP of 3.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 119606296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).