3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide

C22H29N3O3S — CID 60517587

IUPAC3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCNS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-18-12-15-25(16-13-18)17-19-7-9-20(10-8-19)24-22(26)11-14-23-29(27,28)21-5-3-2-4-6-21/h2-10,18,23H,11-17H2,1H3,(H,24,26)
InChIKeyIXRJEHDAQAKJOO-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.23
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide

3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide (PubChem CID 60517587) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
PubChem CID60517587
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC1CCN(Cc2ccc(NC(=O)CCNS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O3S/c1-18-12-15-25(16-13-18)17-19-7-9-20(10-8-19)24-22(26)11-14-23-29(27,28)21-5-3-2-4-6-21/h2-10,18,23H,11-17H2,1H3,(H,24,26)
InChIKeyIXRJEHDAQAKJOO-UHFFFAOYSA-N
XLogP3.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55846962
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
3-(benzenesulfonamido)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46417093
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55734289
3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18119432
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 108811059
2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3229482

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide (CID 60517587) is 3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide is CC1CCN(Cc2ccc(NC(=O)CCNS(=O)(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is IXRJEHDAQAKJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-18-12-15-25(16-13-18)17-19-7-9-20(10-8-19)24-22(26)11-14-23-29(27,28)21-5-3-2-4-6-21/h2-10,18,23H,11-17H2,1H3,(H,24,26).
What are the key properties of 3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide?
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 415.56 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 60517587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).