2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide

C17H26ClN5O4S — CID 68824377

IUPAC2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCC(C)N1CCC(N(CC(=O)Nc2ccc(Cl)cn2)S(=O)(=O)CC(N)=O)CC1
InChIInChI=1S/C17H26ClN5O4S/c1-12(2)22-7-5-14(6-8-22)23(28(26,27)11-15(19)24)10-17(25)21-16-4-3-13(18)9-20-16/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H2,19,24)(H,20,21,25)
InChIKeyXXSIKMCMRUDKJA-UHFFFAOYSA-N
MW431.95 g/mol
LogP0.66
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide

2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 68824377) has the molecular formula C17H26ClN5O4S and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID68824377
Molecular FormulaC17H26ClN5O4S
Molecular Weight431.95 g/mol
Exact Mass431.14
IUPAC Name2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCC(C)N1CCC(N(CC(=O)Nc2ccc(Cl)cn2)S(=O)(=O)CC(N)=O)CC1
InChIInChI=1S/C17H26ClN5O4S/c1-12(2)22-7-5-14(6-8-22)23(28(26,27)11-15(19)24)10-17(25)21-16-4-3-13(18)9-20-16/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H2,19,24)(H,20,21,25)
InChIKeyXXSIKMCMRUDKJA-UHFFFAOYSA-N
XLogP0.66
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide (CID 68824377) is 2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide is CC(C)N1CCC(N(CC(=O)Nc2ccc(Cl)cn2)S(=O)(=O)CC(N)=O)CC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is XXSIKMCMRUDKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN5O4S/c1-12(2)22-7-5-14(6-8-22)23(28(26,27)11-15(19)24)10-17(25)21-16-4-3-13(18)9-20-16/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H2,19,24)(H,20,21,25).
What are the key properties of 2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide?
2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 431.95 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 68824377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).