2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide

C13H14N2OS — CID 81407916

IUPAC2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1N)c1cccs1
InChIInChI=1S/C13H14N2OS/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h2-9H,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyRUZMTZAYTDPVNA-SECBINFHSA-N
MW246.34 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide

2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide (PubChem CID 81407916) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
PubChem CID81407916
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1N)c1cccs1
InChIInChI=1S/C13H14N2OS/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h2-9H,14H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyRUZMTZAYTDPVNA-SECBINFHSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 112766143
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 17475338
3-[(2-aminobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61213668
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide
CID 107183624
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 80958201
4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 107207953
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide (CID 81407916) is 2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1N)c1cccs1.
What is the InChIKey of 2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is RUZMTZAYTDPVNA-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9(12-7-4-8-17-12)15-13(16)10-5-2-3-6-11(10)14/h2-9H,14H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 246.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 81407916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).