4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide

C23H30N4O3S — CID 11640788

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H30N4O3S/c1-26(18-14-19-10-12-20(13-11-19)23-24-15-16-25-23)22(28)9-6-17-27(2)31(29,30)21-7-4-3-5-8-21/h3-5,7-8,10-13H,6,9,14-18H2,1-2H3,(H,24,25)
InChIKeyXPDLBSBHLBXOQJ-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.14
Rot. Bonds10

About 4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide

4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide (PubChem CID 11640788) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide
PubChem CID11640788
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H30N4O3S/c1-26(18-14-19-10-12-20(13-11-19)23-24-15-16-25-23)22(28)9-6-17-27(2)31(29,30)21-7-4-3-5-8-21/h3-5,7-8,10-13H,6,9,14-18H2,1-2H3,(H,24,25)
InChIKeyXPDLBSBHLBXOQJ-UHFFFAOYSA-N
XLogP2.14
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-4-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide
CID 58638734
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]propanamide
CID 11662210
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-4-[methyl-(3-nitrophenyl)sulfonylamino]butanamide
CID 11677513
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-phenylphenyl)sulfonylamino]propanamide;2,2,2-trifluoroacetic acid
CID 69436012
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propylphenyl)sulfonylamino]propanamide
CID 11719752
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
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide
CID 11711712
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-4-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
CID 58638694
4-[(4-chloro-3-nitrophenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide
CID 11642154
3-[1-(benzenesulfonyl)piperidin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 11540291
3-[cyclopropylsulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 11661136
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

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide (CID 11640788) is 4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide is CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide?
The InChIKey is XPDLBSBHLBXOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-26(18-14-19-10-12-20(13-11-19)23-24-15-16-25-23)22(28)9-6-17-27(2)31(29,30)21-7-4-3-5-8-21/h3-5,7-8,10-13H,6,9,14-18H2,1-2H3,(H,24,25).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide?
4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide has a molecular weight of 442.59 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide is sourced from PubChem (CID 11640788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).