4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide

C14H16N2O2S — CID 107207953

IUPAC4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESCOc1cc(N)ccc1C(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-9(13-4-3-7-19-13)16-14(17)11-6-5-10(15)8-12(11)18-2/h3-9H,15H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyLBMSNEWJJRGHMQ-VIFPVBQESA-N
MW276.36 g/mol
LogP2.83
Rot. Bonds4

About 4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide

4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide (PubChem CID 107207953) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
PubChem CID107207953
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESCOc1cc(N)ccc1C(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C14H16N2O2S/c1-9(13-4-3-7-19-13)16-14(17)11-6-5-10(15)8-12(11)18-2/h3-9H,15H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyLBMSNEWJJRGHMQ-VIFPVBQESA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.83
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

4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107207961
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958
3-amino-5-methoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 78985127
2-fluoro-4-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 27754688
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide
CID 107183624
2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27754373
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
CID 107207952
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide (CID 107207953) is 4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide is COc1cc(N)ccc1C(=O)N[C@@H](C)c1cccs1.
What is the InChIKey of 4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is LBMSNEWJJRGHMQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9(13-4-3-7-19-13)16-14(17)11-6-5-10(15)8-12(11)18-2/h3-9H,15H2,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 276.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 107207953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).