2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide

C22H35N5O4S — CID 4634566

IUPAC2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide
SMILESO=C(CNS(=O)(=O)C1CCCCC1)NC(CCNc1ccncc1)C(=O)N1CCCCC1
InChIInChI=1S/C22H35N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h9-10,12-13,19-20,25H,1-8,11,14-17H2,(H,23,24)(H,26,28)
InChIKeyKMUXFASJKPVMGU-UHFFFAOYSA-N
MW465.62 g/mol
LogP1.63
Rot. Bonds10

About 2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide

2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide (PubChem CID 4634566) has the molecular formula C22H35N5O4S and a molecular weight of 465.62 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide
PubChem CID4634566
Molecular FormulaC22H35N5O4S
Molecular Weight465.62 g/mol
Exact Mass465.24
IUPAC Name2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide
SMILESO=C(CNS(=O)(=O)C1CCCCC1)NC(CCNc1ccncc1)C(=O)N1CCCCC1
InChIInChI=1S/C22H35N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h9-10,12-13,19-20,25H,1-8,11,14-17H2,(H,23,24)(H,26,28)
InChIKeyKMUXFASJKPVMGU-UHFFFAOYSA-N
XLogP1.63
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide?
The IUPAC name of 2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide (CID 4634566) is 2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide.
What is the SMILES notation for 2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide?
The canonical SMILES for 2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide is O=C(CNS(=O)(=O)C1CCCCC1)NC(CCNc1ccncc1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide?
The InChIKey is KMUXFASJKPVMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O4S/c28-21(17-25-32(30,31)19-7-3-1-4-8-19)26-20(22(29)27-15-5-2-6-16-27)11-14-24-18-9-12-23-13-10-18/h9-10,12-13,19-20,25H,1-8,11,14-17H2,(H,23,24)(H,26,28).
What are the key properties of 2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide?
2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide has a molecular weight of 465.62 g/mol, XLogP of 1.63, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylamino)-N-[1-oxo-1-piperidin-1-yl-4-(pyridin-4-ylamino)butan-2-yl]acetamide is sourced from PubChem (CID 4634566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).