N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C16H21N3O5S — CID 70754575

IUPACN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2cc(C(C)C)on2)cc1
InChIInChI=1S/C16H21N3O5S/c1-11(2)15-10-14(19-24-15)16(20)17-8-9-18-25(21,22)13-6-4-12(23-3)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3,(H,17,20)
InChIKeyFEHIYRUXQAATFK-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.51
Rot. Bonds8

About N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 70754575) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID70754575
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2cc(C(C)C)on2)cc1
InChIInChI=1S/C16H21N3O5S/c1-11(2)15-10-14(19-24-15)16(20)17-8-9-18-25(21,22)13-6-4-12(23-3)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3,(H,17,20)
InChIKeyFEHIYRUXQAATFK-UHFFFAOYSA-N
XLogP1.51
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
CID 33430522
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70752609
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide
CID 108571354
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30763967

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 70754575) is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is COc1ccc(S(=O)(=O)NCCNC(=O)c2cc(C(C)C)on2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FEHIYRUXQAATFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-11(2)15-10-14(19-24-15)16(20)17-8-9-18-25(21,22)13-6-4-12(23-3)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70754575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).