(2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide

C13H20N2O3S — CID 59136408

IUPAC(2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
SMILESCNC(=O)[C@H](C)c1ccc(NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-9(2)19(17,18)15-12-7-5-11(6-8-12)10(3)13(16)14-4/h5-10,15H,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyOBVNXCYEWZRWPM-SNVBAGLBSA-N
MW284.38 g/mol
LogP1.69
Rot. Bonds5

About (2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide

(2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide (PubChem CID 59136408) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
PubChem CID59136408
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
SMILESCNC(=O)[C@H](C)c1ccc(NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-9(2)19(17,18)15-12-7-5-11(6-8-12)10(3)13(16)14-4/h5-10,15H,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyOBVNXCYEWZRWPM-SNVBAGLBSA-N
XLogP1.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 59136415
sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide
CID 131727857
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid
CID 10214581
N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
N-[4-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 62999818
N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide
CID 64781842
2-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 142888646
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
3-[4-(1-cyanoethylsulfonylamino)phenyl]butanoic acid
CID 104501871
2-chloro-4-(propan-2-ylsulfonylamino)benzamide
CID 62997643
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide?
The IUPAC name of (2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide (CID 59136408) is (2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for (2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide?
The canonical SMILES for (2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide is CNC(=O)[C@H](C)c1ccc(NS(=O)(=O)C(C)C)cc1.
What is the InChIKey of (2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide?
The InChIKey is OBVNXCYEWZRWPM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)19(17,18)15-12-7-5-11(6-8-12)10(3)13(16)14-4/h5-10,15H,1-4H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide?
(2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide has a molecular weight of 284.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 59136408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).