2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide

C15H19N3OS — CID 61449973

IUPAC2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C15H19N3OS/c1-10(2)18(9-12-4-3-7-20-12)15(19)13-6-5-11(16)8-14(13)17/h3-8,10H,9,16-17H2,1-2H3
InChIKeyKCNUJGJNUKYMEJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.96
Rot. Bonds4

About 2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide

2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 61449973) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID61449973
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1ccc(N)cc1N
InChIInChI=1S/C15H19N3OS/c1-10(2)18(9-12-4-3-7-20-12)15(19)13-6-5-11(16)8-14(13)17/h3-8,10H,9,16-17H2,1-2H3
InChIKeyKCNUJGJNUKYMEJ-UHFFFAOYSA-N
XLogP2.96
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.96
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

3-amino-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61450256
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104742073
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55115786
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
4-amino-N,5-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62077582
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 65228797

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide (CID 61449973) is 2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide is CC(C)N(Cc1cccs1)C(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KCNUJGJNUKYMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)18(9-12-4-3-7-20-12)15(19)13-6-5-11(16)8-14(13)17/h3-8,10H,9,16-17H2,1-2H3.
What are the key properties of 2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide?
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 289.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 61449973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).