2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H24Cl2N4O4S — CID 3668536

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCN2CCCCC2)S(=O)(=O)c2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C19H24Cl2N4O4S/c1-14-11-18(23-29-14)22-19(26)13-25(10-9-24-7-3-2-4-8-24)30(27,28)17-12-15(20)5-6-16(17)21/h5-6,11-12H,2-4,7-10,13H2,1H3,(H,22,23,26)
InChIKeySZVGQKYKKALFEV-UHFFFAOYSA-N
MW475.40 g/mol
LogP3.41
Rot. Bonds8

About 2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3668536) has the molecular formula C19H24Cl2N4O4S and a molecular weight of 475.40 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3668536
Molecular FormulaC19H24Cl2N4O4S
Molecular Weight475.40 g/mol
Exact Mass474.09
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCN2CCCCC2)S(=O)(=O)c2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C19H24Cl2N4O4S/c1-14-11-18(23-29-14)22-19(26)13-25(10-9-24-7-3-2-4-8-24)30(27,28)17-12-15(20)5-6-16(17)21/h5-6,11-12H,2-4,7-10,13H2,1H3,(H,22,23,26)
InChIKeySZVGQKYKKALFEV-UHFFFAOYSA-N
XLogP3.41
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3258834
2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55627407
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide
CID 3444758
2-[(2,5-dichlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4869538
2-(2,6-dichloro-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113156975
2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769352
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 126022251
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 4174798
3,4-dichloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3462860
2-[(4-chloro-3-nitrophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 5141625
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 729690
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 717534

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3668536) is 2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(CCN2CCCCC2)S(=O)(=O)c2cc(Cl)ccc2Cl)no1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is SZVGQKYKKALFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O4S/c1-14-11-18(23-29-14)22-19(26)13-25(10-9-24-7-3-2-4-8-24)30(27,28)17-12-15(20)5-6-16(17)21/h5-6,11-12H,2-4,7-10,13H2,1H3,(H,22,23,26).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 475.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-(2-piperidin-1-ylethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3668536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).