2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide

C14H17N3OS — CID 61475795

IUPAC2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
SMILESCC(Cc1ccsc1)Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C14H17N3OS/c1-9(6-10-4-5-19-8-10)17-11-2-3-13(15)12(7-11)14(16)18/h2-5,7-9,17H,6,15H2,1H3,(H2,16,18)
InChIKeyRHMIACVXNSHPAH-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.47
Rot. Bonds5

About 2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide

2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide (PubChem CID 61475795) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide.

Molecular Properties

Compound Name2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
PubChem CID61475795
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
SMILESCC(Cc1ccsc1)Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C14H17N3OS/c1-9(6-10-4-5-19-8-10)17-11-2-3-13(15)12(7-11)14(16)18/h2-5,7-9,17H,6,15H2,1H3,(H2,16,18)
InChIKeyRHMIACVXNSHPAH-UHFFFAOYSA-N
XLogP2.47
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.47
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-[1-(dimethylamino)propan-2-ylamino]benzamide
CID 82950580
2-amino-5-(5-methylhexan-2-ylamino)benzamide
CID 63925139
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 62376964
2-bromo-4-(1-thiophen-3-ylpropan-2-ylamino)benzonitrile
CID 107276079
2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104829686
2-amino-5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]benzamide
CID 114176569
3-amino-N-(1-thiophen-3-ylpropan-2-yl)thiophene-2-carboxamide
CID 54952813
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide?
The IUPAC name of 2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide (CID 61475795) is 2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide.
What is the SMILES notation for 2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide?
The canonical SMILES for 2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide is CC(Cc1ccsc1)Nc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide?
The InChIKey is RHMIACVXNSHPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(6-10-4-5-19-8-10)17-11-2-3-13(15)12(7-11)14(16)18/h2-5,7-9,17H,6,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide?
2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide has a molecular weight of 275.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide is sourced from PubChem (CID 61475795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).