2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate

C15H17N3O4S — CID 126457966

IUPAC2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate
SMILESCc1ccc(S(=O)(=O)NCCOC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H17N3O4S/c1-12-4-6-14(7-5-12)23(20,21)17-9-10-22-15(19)18-13-3-2-8-16-11-13/h2-8,11,17H,9-10H2,1H3,(H,18,19)
InChIKeyOMDXJYWJSYHOIE-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.92
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate

2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate (PubChem CID 126457966) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate
PubChem CID126457966
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate
SMILESCc1ccc(S(=O)(=O)NCCOC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H17N3O4S/c1-12-4-6-14(7-5-12)23(20,21)17-9-10-22-15(19)18-13-3-2-8-16-11-13/h2-8,11,17H,9-10H2,1H3,(H,18,19)
InChIKeyOMDXJYWJSYHOIE-UHFFFAOYSA-N
XLogP1.92
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate
CID 101414812
1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea
CID 108892981
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
4-[[[4-[3-(2-aminoethoxy)propyl]phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70659860
boric acid;pyridin-3-ylurea
CID 175497836
4-[[[4-(4-hydroxyphenyl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70661029
(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate
CID 1213745
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
N-(6-methoxy-3-pyridinyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 8892342
2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate
CID 83203795

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate (CID 126457966) is 2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate is Cc1ccc(S(=O)(=O)NCCOC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate?
The InChIKey is OMDXJYWJSYHOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-12-4-6-14(7-5-12)23(20,21)17-9-10-22-15(19)18-13-3-2-8-16-11-13/h2-8,11,17H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate?
2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate has a molecular weight of 335.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate is sourced from PubChem (CID 126457966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).