2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate

C19H25N3O4S — CID 22955860

IUPAC2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OCCS(=O)(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C19H25N3O4S/c1-4-22(5-2)16-9-10-17(15(3)14-16)21-19(23)26-12-13-27(24,25)18-8-6-7-11-20-18/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,23)
InChIKeyTUUQFORYLRACCZ-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.26
Rot. Bonds8

About 2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate

2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate (PubChem CID 22955860) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate.

Molecular Properties

Compound Name2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
PubChem CID22955860
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OCCS(=O)(=O)c2ccccn2)c(C)c1
InChIInChI=1S/C19H25N3O4S/c1-4-22(5-2)16-9-10-17(15(3)14-16)21-19(23)26-12-13-27(24,25)18-8-6-7-11-20-18/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,23)
InChIKeyTUUQFORYLRACCZ-UHFFFAOYSA-N
XLogP3.26
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The IUPAC name of 2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate (CID 22955860) is 2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate.
What is the SMILES notation for 2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The canonical SMILES for 2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate is CCN(CC)c1ccc(NC(=O)OCCS(=O)(=O)c2ccccn2)c(C)c1.
What is the InChIKey of 2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The InChIKey is TUUQFORYLRACCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-4-22(5-2)16-9-10-17(15(3)14-16)21-19(23)26-12-13-27(24,25)18-8-6-7-11-20-18/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate has a molecular weight of 391.49 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate is sourced from PubChem (CID 22955860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).