N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide

C13H20N2O3S — CID 54862201

IUPACN-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O3S/c1-10(2)14-8-7-13(16)15-11-5-4-6-12(9-11)19(3,17)18/h4-6,9-10,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyJGEVNPVEUVBXMS-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.42
Rot. Bonds6

About N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide

N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 54862201) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
PubChem CID54862201
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O3S/c1-10(2)14-8-7-13(16)15-11-5-4-6-12(9-11)19(3,17)18/h4-6,9-10,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyJGEVNPVEUVBXMS-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylsulfamoyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60853256
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
N-(3-ethynylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852147
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894
2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8923977
N-(3-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716474
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334790
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852910

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide (CID 54862201) is N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is JGEVNPVEUVBXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)14-8-7-13(16)15-11-5-4-6-12(9-11)19(3,17)18/h4-6,9-10,14H,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide?
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 284.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54862201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).