2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide

C21H27N3O3S — CID 68544377

IUPAC2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)NC1CCNCC1c1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C21H27N3O3S/c1-14(2)28(26,27)24-20-11-12-23-13-19(20)16-9-7-15(8-10-16)17-5-3-4-6-18(17)21(22)25/h3-10,14,19-20,23-24H,11-13H2,1-2H3,(H2,22,25)
InChIKeySBNCHFAHKQJMQH-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.23
Rot. Bonds6

About 2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide

2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide (PubChem CID 68544377) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
PubChem CID68544377
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
SMILESCC(C)S(=O)(=O)NC1CCNCC1c1ccc(-c2ccccc2C(N)=O)cc1
InChIInChI=1S/C21H27N3O3S/c1-14(2)28(26,27)24-20-11-12-23-13-19(20)16-9-7-15(8-10-16)17-5-3-4-6-18(17)21(22)25/h3-10,14,19-20,23-24H,11-13H2,1-2H3,(H2,22,25)
InChIKeySBNCHFAHKQJMQH-UHFFFAOYSA-N
XLogP2.23
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
The IUPAC name of 2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide (CID 68544377) is 2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide is CC(C)S(=O)(=O)NC1CCNCC1c1ccc(-c2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
The InChIKey is SBNCHFAHKQJMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-14(2)28(26,27)24-20-11-12-23-13-19(20)16-9-7-15(8-10-16)17-5-3-4-6-18(17)21(22)25/h3-10,14,19-20,23-24H,11-13H2,1-2H3,(H2,22,25).
What are the key properties of 2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide?
2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide has a molecular weight of 401.53 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 68544377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).