4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide

C14H21N3O2S — CID 106324512

IUPAC4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
SMILESCOc1cc(N)ccc1C(=O)NCCN1CCSCC1
InChIInChI=1S/C14H21N3O2S/c1-19-13-10-11(15)2-3-12(13)14(18)16-4-5-17-6-8-20-9-7-17/h2-3,10H,4-9,15H2,1H3,(H,16,18)
InChIKeyFCYYOSZQSKVOHL-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.06
Rot. Bonds5

About 4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide

4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide (PubChem CID 106324512) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
PubChem CID106324512
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
SMILESCOc1cc(N)ccc1C(=O)NCCN1CCSCC1
InChIInChI=1S/C14H21N3O2S/c1-19-13-10-11(15)2-3-12(13)14(18)16-4-5-17-6-8-20-9-7-17/h2-3,10H,4-9,15H2,1H3,(H,16,18)
InChIKeyFCYYOSZQSKVOHL-UHFFFAOYSA-N
XLogP1.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride
CID 119853632
N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
CID 28786654
2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 68809387
methyl 5-amino-2-(2-thiomorpholin-4-ylethylamino)benzoate
CID 106326870
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
2,3-dihydroxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 107325487
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836361
4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836071
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212
4-amino-N-hex-5-ynyl-2-methoxybenzamide
CID 106208174

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide?
The IUPAC name of 4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide (CID 106324512) is 4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide is COc1cc(N)ccc1C(=O)NCCN1CCSCC1.
What is the InChIKey of 4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide?
The InChIKey is FCYYOSZQSKVOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-19-13-10-11(15)2-3-12(13)14(18)16-4-5-17-6-8-20-9-7-17/h2-3,10H,4-9,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide?
4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide has a molecular weight of 295.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide is sourced from PubChem (CID 106324512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).