3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

C22H29N3O3S — CID 18119432

IUPAC3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H29N3O3S/c26-22(13-14-24-29(27,28)21-7-3-1-4-8-21)23-17-19-9-11-20(12-10-19)18-25-15-5-2-6-16-25/h1,3-4,7-12,24H,2,5-6,13-18H2,(H,23,26)
InChIKeyUQLYKTUDBMLFPY-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.66
Rot. Bonds9

About 3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 18119432) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID18119432
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H29N3O3S/c26-22(13-14-24-29(27,28)21-7-3-1-4-8-21)23-17-19-9-11-20(12-10-19)18-25-15-5-2-6-16-25/h1,3-4,7-12,24H,2,5-6,13-18H2,(H,23,26)
InChIKeyUQLYKTUDBMLFPY-UHFFFAOYSA-N
XLogP2.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 8545586
N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 71050440
3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46417093
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 46465675
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55414677
3-benzylsulfanyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767858
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
3-phenylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46766988
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 39302101
4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836186
3-benzylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767349

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (CID 18119432) is 3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is UQLYKTUDBMLFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c26-22(13-14-24-29(27,28)21-7-3-1-4-8-21)23-17-19-9-11-20(12-10-19)18-25-15-5-2-6-16-25/h1,3-4,7-12,24H,2,5-6,13-18H2,(H,23,26).
What are the key properties of 3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 415.56 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 18119432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).