2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate

C13H20N2O4S — CID 141231042

IUPAC2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate
SMILESCC(C)(C)COC(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-13(2,3)9-19-12(16)14-10-5-7-11(8-6-10)15-20(4,17)18/h5-8,15H,9H2,1-4H3,(H,14,16)
InChIKeyVEVICFPRDYJBKJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.65
Rot. Bonds4

About 2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate

2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate (PubChem CID 141231042) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate
PubChem CID141231042
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate
SMILESCC(C)(C)COC(=O)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-13(2,3)9-19-12(16)14-10-5-7-11(8-6-10)15-20(4,17)18/h5-8,15H,9H2,1-4H3,(H,14,16)
InChIKeyVEVICFPRDYJBKJ-UHFFFAOYSA-N
XLogP2.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate 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

methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
CID 108875415
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
[2-(dimethylamino)-2-methylpropyl] N-(4-aminophenyl)carbamate
CID 79679946
3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339
(2S)-2-amino-N-[4-(methanesulfonamido)phenyl]-3-methylpentanamide
CID 61173370
2,2,2-trifluoroethyl N-(4-ethylsulfonylphenyl)carbamate
CID 65173666
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
ethyl N-[4-(chloromethylsulfonylamino)phenyl]carbamate
CID 55245640
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
CID 29357603
N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide
CID 173077948
ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
CID 60534888

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate (CID 141231042) is 2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate is CC(C)(C)COC(=O)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate?
The InChIKey is VEVICFPRDYJBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(2,3)9-19-12(16)14-10-5-7-11(8-6-10)15-20(4,17)18/h5-8,15H,9H2,1-4H3,(H,14,16).
What are the key properties of 2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate?
2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate has a molecular weight of 300.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[4-(methanesulfonamido)phenyl]carbamate is sourced from PubChem (CID 141231042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).