2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide

C14H17N3OS — CID 61471843

IUPAC2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccsc1)NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H17N3OS/c1-9(6-10-4-5-19-8-10)17-14(18)12-3-2-11(15)7-13(12)16/h2-5,7-9H,6,15-16H2,1H3,(H,17,18)
InChIKeyUVZVBWFJTADBIC-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.27
Rot. Bonds4

About 2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide

2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide (PubChem CID 61471843) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
PubChem CID61471843
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccsc1)NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C14H17N3OS/c1-9(6-10-4-5-19-8-10)17-14(18)12-3-2-11(15)7-13(12)16/h2-5,7-9H,6,15-16H2,1H3,(H,17,18)
InChIKeyUVZVBWFJTADBIC-UHFFFAOYSA-N
XLogP2.27
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.27
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-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
2-(4-aminophenoxy)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 61471803
2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104126
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
2-amino-3-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 115677734
3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471915
2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61475795
2,4-diamino-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113493375

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The IUPAC name of 2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide (CID 61471843) is 2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The canonical SMILES for 2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide is CC(Cc1ccsc1)NC(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
The InChIKey is UVZVBWFJTADBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(6-10-4-5-19-8-10)17-14(18)12-3-2-11(15)7-13(12)16/h2-5,7-9H,6,15-16H2,1H3,(H,17,18).
What are the key properties of 2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide?
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide has a molecular weight of 275.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide is sourced from PubChem (CID 61471843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).