N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide

C22H35N3O4S — CID 55863577

IUPACN-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C22H35N3O4S/c1-5-6-13-24(4)22(27)19-10-14-25(15-11-19)21(26)9-12-23-30(28,29)20-8-7-17(2)18(3)16-20/h7-8,16,19,23H,5-6,9-15H2,1-4H3
InChIKeyAJXQCOZVOWCSEF-UHFFFAOYSA-N
MW437.61 g/mol
LogP2.47
Rot. Bonds9

About N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55863577) has the molecular formula C22H35N3O4S and a molecular weight of 437.61 g/mol. Its IUPAC name is N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide
PubChem CID55863577
Molecular FormulaC22H35N3O4S
Molecular Weight437.61 g/mol
Exact Mass437.23
IUPAC NameN-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C22H35N3O4S/c1-5-6-13-24(4)22(27)19-10-14-25(15-11-19)21(26)9-12-23-30(28,29)20-8-7-17(2)18(3)16-20/h7-8,16,19,23H,5-6,9-15H2,1-4H3
InChIKeyAJXQCOZVOWCSEF-UHFFFAOYSA-N
XLogP2.47
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 56512576
ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712
3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433
N-[3-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 49071768
3,4-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 3466822
N-butyl-N-methyl-1-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]piperidine-4-carboxamide
CID 55950402
N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 15995514
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46450682
N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005685

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide (CID 55863577) is N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is AJXQCOZVOWCSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4S/c1-5-6-13-24(4)22(27)19-10-14-25(15-11-19)21(26)9-12-23-30(28,29)20-8-7-17(2)18(3)16-20/h7-8,16,19,23H,5-6,9-15H2,1-4H3.
What are the key properties of N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 437.61 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55863577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).