2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide

C19H27ClN4O4S — CID 30659142

IUPAC2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide
SMILESCc1cc(N(CC(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C19H27ClN4O4S/c1-13(2)10-23(11-14(3)4)19(25)12-24(18-8-15(5)28-22-18)29(26,27)16-6-7-17(20)21-9-16/h6-9,13-14H,10-12H2,1-5H3
InChIKeyMQMMWJJIOCAZJM-UHFFFAOYSA-N
MW442.97 g/mol
LogP3.37
Rot. Bonds9

About 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide

2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 30659142) has the molecular formula C19H27ClN4O4S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide
PubChem CID30659142
Molecular FormulaC19H27ClN4O4S
Molecular Weight442.97 g/mol
Exact Mass442.14
IUPAC Name2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide
SMILESCc1cc(N(CC(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc(Cl)nc2)no1
InChIInChI=1S/C19H27ClN4O4S/c1-13(2)10-23(11-14(3)4)19(25)12-24(18-8-15(5)28-22-18)29(26,27)16-6-7-17(20)21-9-16/h6-9,13-14H,10-12H2,1-5H3
InChIKeyMQMMWJJIOCAZJM-UHFFFAOYSA-N
XLogP3.37
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide (CID 30659142) is 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide is Cc1cc(N(CC(=O)N(CC(C)C)CC(C)C)S(=O)(=O)c2ccc(Cl)nc2)no1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is MQMMWJJIOCAZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O4S/c1-13(2)10-23(11-14(3)4)19(25)12-24(18-8-15(5)28-22-18)29(26,27)16-6-7-17(20)21-9-16/h6-9,13-14H,10-12H2,1-5H3.
What are the key properties of 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide?
2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 442.97 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)amino]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 30659142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).