3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide

C15H24N4OS — CID 106324843

IUPAC3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide
SMILESCCNC(=O)c1ccc(NCCN2CCSCC2)c(N)c1
InChIInChI=1S/C15H24N4OS/c1-2-17-15(20)12-3-4-14(13(16)11-12)18-5-6-19-7-9-21-10-8-19/h3-4,11,18H,2,5-10,16H2,1H3,(H,17,20)
InChIKeyFGBVLNQIGFGNSK-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.48
Rot. Bonds6

About 3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide

3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide (PubChem CID 106324843) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide
PubChem CID106324843
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide
SMILESCCNC(=O)c1ccc(NCCN2CCSCC2)c(N)c1
InChIInChI=1S/C15H24N4OS/c1-2-17-15(20)12-3-4-14(13(16)11-12)18-5-6-19-7-9-21-10-8-19/h3-4,11,18H,2,5-10,16H2,1H3,(H,17,20)
InChIKeyFGBVLNQIGFGNSK-UHFFFAOYSA-N
XLogP1.48
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789
3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 82991446
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985
3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 67448727
3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191
4-nitro-1-N-(2-thiomorpholin-4-ylethyl)benzene-1,2-diamine
CID 106324866
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
CID 82990421
3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82989904
methyl 5-amino-2-(2-thiomorpholin-4-ylethylamino)benzoate
CID 106326870

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide (CID 106324843) is 3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide is CCNC(=O)c1ccc(NCCN2CCSCC2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide?
The InChIKey is FGBVLNQIGFGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-2-17-15(20)12-3-4-14(13(16)11-12)18-5-6-19-7-9-21-10-8-19/h3-4,11,18H,2,5-10,16H2,1H3,(H,17,20).
What are the key properties of 3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide?
3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide has a molecular weight of 308.45 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide is sourced from PubChem (CID 106324843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).