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

C12H18N2O3S — CID 59136415

IUPAC(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
SMILESCC(C)S(=O)(=O)Nc1ccc([C@@H](C)C(N)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-8(2)18(16,17)14-11-6-4-10(5-7-11)9(3)12(13)15/h4-9,14H,1-3H3,(H2,13,15)/t9-/m1/s1
InChIKeyVQJWNENDXHSULW-SECBINFHSA-N
MW270.35 g/mol
LogP1.43
Rot. Bonds5

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

(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide (PubChem CID 59136415) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is (2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
PubChem CID59136415
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
SMILESCC(C)S(=O)(=O)Nc1ccc([C@@H](C)C(N)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-8(2)18(16,17)14-11-6-4-10(5-7-11)9(3)12(13)15/h4-9,14H,1-3H3,(H2,13,15)/t9-/m1/s1
InChIKeyVQJWNENDXHSULW-SECBINFHSA-N
XLogP1.43
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 59136408
sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide
CID 131727857
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372
(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid
CID 10214581
2-chloro-4-(propan-2-ylsulfonylamino)benzamide
CID 62997643
2-hydroxy-2-[4-(methanesulfonamido)phenyl]acetamide
CID 57197585
N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide
CID 173077948
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
N-(3-fluoro-4-hydroxyphenyl)propane-2-sulfonamide
CID 64781842
N-[4-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 62999818

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide?
The IUPAC name of (2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide (CID 59136415) is (2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide?
The canonical SMILES for (2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide is CC(C)S(=O)(=O)Nc1ccc([C@@H](C)C(N)=O)cc1.
What is the InChIKey of (2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide?
The InChIKey is VQJWNENDXHSULW-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)18(16,17)14-11-6-4-10(5-7-11)9(3)12(13)15/h4-9,14H,1-3H3,(H2,13,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide?
(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide has a molecular weight of 270.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 59136415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).