N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide

C12H18N2O3S — CID 60886177

IUPACN-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H18N2O3S/c1-8(2)18(16,17)9(3)12(15)14-11-6-4-10(13)5-7-11/h4-9H,13H2,1-3H3,(H,14,15)
InChIKeyXFCVRXAIFMSAIO-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.42
Rot. Bonds4

About N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide

N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide (PubChem CID 60886177) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide
PubChem CID60886177
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H18N2O3S/c1-8(2)18(16,17)9(3)12(15)14-11-6-4-10(13)5-7-11/h4-9H,13H2,1-3H3,(H,14,15)
InChIKeyXFCVRXAIFMSAIO-UHFFFAOYSA-N
XLogP1.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 95665678
N-[4-(diethylamino)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 60553986
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
N-(4-aminophenyl)-2,3,3-trimethylbutanamide
CID 89148503
2-(1-anilino-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117074
N-[4-(4-aminophenyl)phenyl]-2-chloropropanamide
CID 18877630
N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide
CID 55965539
3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea
CID 43469006
N-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]butanamide
CID 82224572
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
N-(4-aminophenyl)-2-(diethylamino)-3-methylbutanamide
CID 82224626

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide (CID 60886177) is N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide?
The InChIKey is XFCVRXAIFMSAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)18(16,17)9(3)12(15)14-11-6-4-10(13)5-7-11/h4-9H,13H2,1-3H3,(H,14,15).
What are the key properties of N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide?
N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 60886177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).