propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate

C14H21NO4S — CID 58658676

IUPACpropan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate
SMILESCCCc1ccc(N(C(=O)OC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO4S/c1-5-6-12-7-9-13(10-8-12)15(20(4,17)18)14(16)19-11(2)3/h7-11H,5-6H2,1-4H3
InChIKeyUQPFGQGVNZVMCS-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.95
Rot. Bonds5

About propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate

propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate (PubChem CID 58658676) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate
PubChem CID58658676
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Namepropan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate
SMILESCCCc1ccc(N(C(=O)OC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO4S/c1-5-6-12-7-9-13(10-8-12)15(20(4,17)18)14(16)19-11(2)3/h7-11H,5-6H2,1-4H3
InChIKeyUQPFGQGVNZVMCS-UHFFFAOYSA-N
XLogP2.95
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate?
The IUPAC name of propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate (CID 58658676) is propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate.
What is the SMILES notation for propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate?
The canonical SMILES for propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate is CCCc1ccc(N(C(=O)OC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate?
The InChIKey is UQPFGQGVNZVMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-5-6-12-7-9-13(10-8-12)15(20(4,17)18)14(16)19-11(2)3/h7-11H,5-6H2,1-4H3.
What are the key properties of propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate?
propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate has a molecular weight of 299.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate is sourced from PubChem (CID 58658676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).