N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide

C13H19NO3S — CID 11032895

IUPACN-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide
SMILESCc1ccc(S(=O)(=O)C(NC=O)C(C)(C)C)cc1
InChIInChI=1S/C13H19NO3S/c1-10-5-7-11(8-6-10)18(16,17)12(14-9-15)13(2,3)4/h5-9,12H,1-4H3,(H,14,15)
InChIKeySWQSFNHBCFIGKG-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.89
Rot. Bonds4

About N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide

N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide (PubChem CID 11032895) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide
PubChem CID11032895
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide
SMILESCc1ccc(S(=O)(=O)C(NC=O)C(C)(C)C)cc1
InChIInChI=1S/C13H19NO3S/c1-10-5-7-11(8-6-10)18(16,17)12(14-9-15)13(2,3)4/h5-9,12H,1-4H3,(H,14,15)
InChIKeySWQSFNHBCFIGKG-UHFFFAOYSA-N
XLogP1.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-methyl-1-(4-methylphenyl)sulfonylpropan-2-ol
CID 10849115
(2R,3R,4R)-2,3,4,5-tetrahydroxy-5-(4-methylphenyl)sulfonylpentanal
CID 88704819
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
2-[isocyano-(4-methylphenyl)sulfonylmethyl]-3,3-dimethylbutanoic acid
CID 87406047
N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane
CID 143091986
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 24786515
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
CID 101403953
1-methyl-4-(1-nitroethylsulfonyl)benzene
CID 12512634
2-(4-methylphenyl)sulfonyl-3,3,3-triphenylpropanal
CID 123934939
1,3-ditert-butyl-5-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
CID 131742786
2-fluoro-2-(4-methylphenyl)sulfonylethanol
CID 115030535

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide?
The IUPAC name of N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide (CID 11032895) is N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide.
What is the SMILES notation for N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide?
The canonical SMILES for N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide is Cc1ccc(S(=O)(=O)C(NC=O)C(C)(C)C)cc1.
What is the InChIKey of N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide?
The InChIKey is SWQSFNHBCFIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-5-7-11(8-6-10)18(16,17)12(14-9-15)13(2,3)4/h5-9,12H,1-4H3,(H,14,15).
What are the key properties of N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide?
N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide has a molecular weight of 269.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-1-(4-methylphenyl)sulfonylpropyl]formamide is sourced from PubChem (CID 11032895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).