3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide

C26H34N4O3S — CID 11540291

IUPAC3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCC1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H34N4O3S/c1-29(20-16-21-10-12-22(13-11-21)26-27-17-18-28-26)25(31)15-14-23-7-5-6-19-30(23)34(32,33)24-8-3-2-4-9-24/h2-4,8-13,23H,5-7,14-20H2,1H3,(H,27,28)
InChIKeyKZBWEMITPUYRDC-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.06
Rot. Bonds9

About 3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide

3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide (PubChem CID 11540291) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
PubChem CID11540291
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC Name3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCC1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H34N4O3S/c1-29(20-16-21-10-12-22(13-11-21)26-27-17-18-28-26)25(31)15-14-23-7-5-6-19-30(23)34(32,33)24-8-3-2-4-9-24/h2-4,8-13,23H,5-7,14-20H2,1H3,(H,27,28)
InChIKeyKZBWEMITPUYRDC-UHFFFAOYSA-N
XLogP3.06
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropylsulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 11661136
3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 143223977
1-(2,3-dichlorophenyl)sulfonyl-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpiperidine-3-carboxamide
CID 11548169
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide;2,2,2-trifluoroacetic acid
CID 87828846
3-[(3,5-dichloro-4-hydroxyphenyl)sulfonylmethylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 69423057
4-[(2,3-dichlorophenyl)sulfonylmethylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide
CID 69421728
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-4-[methyl-(4-pentylphenyl)sulfonylamino]butanamide;2,2,2-trifluoroacetic acid
CID 69424593
3-[(5-chloronaphthalen-1-yl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide;2,2,2-trifluoroacetic acid
CID 69422440
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide
CID 18574278
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-4-(thiophen-3-ylsulfonylmethylamino)butanamide
CID 69424579
3-(1-benzothiophen-2-ylsulfonylmethylamino)-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide;hydrochloride
CID 69424016
3-[(4-chloro-3-nitrophenyl)sulfonylmethylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide;2,2,2-trifluoroacetic acid
CID 69422184

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The IUPAC name of 3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide (CID 11540291) is 3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The canonical SMILES for 3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide is CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCC1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The InChIKey is KZBWEMITPUYRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-29(20-16-21-10-12-22(13-11-21)26-27-17-18-28-26)25(31)15-14-23-7-5-6-19-30(23)34(32,33)24-8-3-2-4-9-24/h2-4,8-13,23H,5-7,14-20H2,1H3,(H,27,28).
What are the key properties of 3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide has a molecular weight of 482.65 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide is sourced from PubChem (CID 11540291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).