2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

C13H19N3O4S — CID 119262356

IUPAC2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H19N3O4S/c1-10(14)13(17)15-11-3-2-4-12(9-11)21(18,19)16-5-7-20-8-6-16/h2-4,9-10H,5-8,14H2,1H3,(H,15,17)
InChIKeyYLRFMFRCJOPLGU-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.01
Rot. Bonds4

About 2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 119262356) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID119262356
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H19N3O4S/c1-10(14)13(17)15-11-3-2-4-12(9-11)21(18,19)16-5-7-20-8-6-16/h2-4,9-10H,5-8,14H2,1H3,(H,15,17)
InChIKeyYLRFMFRCJOPLGU-UHFFFAOYSA-N
XLogP-0.01
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
(2S)-2-cyclopentylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 7395631
(2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 8863476
1-O-methyl 4-O-[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] benzene-1,4-dicarboxylate
CID 42985084
N-[3-methyl-1-(3-morpholin-4-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 4852294
N-(3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)anilino]propanamide
CID 4883284
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
(2S)-2-amino-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]propanamide
CID 119283963
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
(2S)-2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41070554
(2S)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 8827750

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (CID 119262356) is 2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is CC(N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is YLRFMFRCJOPLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10(14)13(17)15-11-3-2-4-12(9-11)21(18,19)16-5-7-20-8-6-16/h2-4,9-10H,5-8,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 313.38 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 119262356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).