N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide

C16H24N2O3S — CID 86805735

IUPACN-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide
SMILESCC1CCCN1C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3S/c1-12-6-5-11-18(12)15(19)17-13-7-9-14(10-8-13)22(20,21)16(2,3)4/h7-10,12H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyVIWPVMIFSMWPAN-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.28
Rot. Bonds2

About N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide

N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide (PubChem CID 86805735) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide
PubChem CID86805735
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide
SMILESCC1CCCN1C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3S/c1-12-6-5-11-18(12)15(19)17-13-7-9-14(10-8-13)22(20,21)16(2,3)4/h7-10,12H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyVIWPVMIFSMWPAN-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 3456969
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 99079641
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 71939005
(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide
CID 118772011
2-bromo-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 113281211
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
2-(benzenesulfonylmethyl)-N-(4-tert-butylphenyl)pyrrolidine-1-carboxamide
CID 71805911
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide (CID 86805735) is N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide is CC1CCCN1C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide?
The InChIKey is VIWPVMIFSMWPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-6-5-11-18(12)15(19)17-13-7-9-14(10-8-13)22(20,21)16(2,3)4/h7-10,12H,5-6,11H2,1-4H3,(H,17,19).
What are the key properties of N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide?
N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 86805735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).