4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide

C15H19N3OS — CID 79476281

IUPAC4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
SMILESCC(Cc1cccs1)N(C)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C15H19N3OS/c1-10(8-12-4-3-7-20-12)18(2)14-9-11(15(17)19)5-6-13(14)16/h3-7,9-10H,8,16H2,1-2H3,(H2,17,19)
InChIKeyBBDAFQYPSYBTHI-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.50
Rot. Bonds5

About 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide

4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide (PubChem CID 79476281) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
PubChem CID79476281
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
SMILESCC(Cc1cccs1)N(C)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C15H19N3OS/c1-10(8-12-4-3-7-20-12)18(2)14-9-11(15(17)19)5-6-13(14)16/h3-7,9-10H,8,16H2,1-2H3,(H2,17,19)
InChIKeyBBDAFQYPSYBTHI-UHFFFAOYSA-N
XLogP2.50
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 82898608
4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone
CID 79476527
3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 79472414
4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide
CID 63356225
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476050
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
CID 82990505
2-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476571
4-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
CID 63356484
3-amino-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzoic acid
CID 115935277
methyl 4-amino-3-[methyl(thiophen-2-ylmethyl)amino]benzoate
CID 82786031

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide?
The IUPAC name of 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide (CID 79476281) is 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide?
The canonical SMILES for 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide is CC(Cc1cccs1)N(C)c1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide?
The InChIKey is BBDAFQYPSYBTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(8-12-4-3-7-20-12)18(2)14-9-11(15(17)19)5-6-13(14)16/h3-7,9-10H,8,16H2,1-2H3,(H2,17,19).
What are the key properties of 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide?
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide is sourced from PubChem (CID 79476281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).