2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide

C15H19N3OS — CID 115546311

IUPAC2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide
SMILESCc1ccc(CC(C)Nc2cccc(C(N)=O)c2N)s1
InChIInChI=1S/C15H19N3OS/c1-9(8-11-7-6-10(2)20-11)18-13-5-3-4-12(14(13)16)15(17)19/h3-7,9,18H,8,16H2,1-2H3,(H2,17,19)
InChIKeyGOUFGCQGEUAEAI-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.78
Rot. Bonds5

About 2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide

2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide (PubChem CID 115546311) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide
PubChem CID115546311
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide
SMILESCc1ccc(CC(C)Nc2cccc(C(N)=O)c2N)s1
InChIInChI=1S/C15H19N3OS/c1-9(8-11-7-6-10(2)20-11)18-13-5-3-4-12(14(13)16)15(17)19/h3-7,9,18H,8,16H2,1-2H3,(H2,17,19)
InChIKeyGOUFGCQGEUAEAI-UHFFFAOYSA-N
XLogP2.78
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.78
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

2-amino-3-(pentan-2-ylamino)benzamide
CID 115544249
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 43694008
6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 78997302
2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 115545340
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide
CID 81297363
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzamide
CID 113332730
2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide
CID 115544390
2-amino-3-(1-phenylpropylamino)benzamide
CID 115545839
2,6-dimethyl-4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carbothioamide
CID 81036465
3-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796744

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide?
The IUPAC name of 2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide (CID 115546311) is 2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide.
What is the SMILES notation for 2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide?
The canonical SMILES for 2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide is Cc1ccc(CC(C)Nc2cccc(C(N)=O)c2N)s1.
What is the InChIKey of 2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide?
The InChIKey is GOUFGCQGEUAEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9(8-11-7-6-10(2)20-11)18-13-5-3-4-12(14(13)16)15(17)19/h3-7,9,18H,8,16H2,1-2H3,(H2,17,19).
What are the key properties of 2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide?
2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide is sourced from PubChem (CID 115546311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).