3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide

C21H24Cl2N4O3S — CID 143223977

IUPAC3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C21H24Cl2N4O3S/c1-27(14-10-15-5-7-16(8-6-15)21-24-12-13-25-21)19(28)9-11-26-31(29,30)20-17(22)3-2-4-18(20)23/h2-8,26H,9-14H2,1H3,(H,24,25)
InChIKeyAGHGAMLWSWCEQO-UHFFFAOYSA-N
MW483.42 g/mol
LogP2.71
Rot. Bonds9

About 3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide

3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide (PubChem CID 143223977) has the molecular formula C21H24Cl2N4O3S and a molecular weight of 483.42 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
PubChem CID143223977
Molecular FormulaC21H24Cl2N4O3S
Molecular Weight483.42 g/mol
Exact Mass482.09
IUPAC Name3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C21H24Cl2N4O3S/c1-27(14-10-15-5-7-16(8-6-15)21-24-12-13-25-21)19(28)9-11-26-31(29,30)20-17(22)3-2-4-18(20)23/h2-8,26H,9-14H2,1H3,(H,24,25)
InChIKeyAGHGAMLWSWCEQO-UHFFFAOYSA-N
XLogP2.71
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 143223940
4-[(2,3-dichlorophenyl)sulfonylmethylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide
CID 69421728
3-[(3,5-dichloro-4-hydroxyphenyl)sulfonylmethylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 69423057
4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide
CID 11640788
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
3-[cyclopropylsulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 11661136
3-[(2,4-dichloro-5-methylphenyl)sulfonyl-methylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 11591581
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]propanamide
CID 11662210
N-[2-[(2,3-dichlorophenyl)sulfanyl-methylamino]ethyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N-methylpropanamide
CID 89321078
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propylphenyl)sulfonylamino]propanamide
CID 11719752
2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid
CID 119346190
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-4-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
CID 58638694

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The IUPAC name of 3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide (CID 143223977) is 3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The canonical SMILES for 3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide is CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
The InChIKey is AGHGAMLWSWCEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O3S/c1-27(14-10-15-5-7-16(8-6-15)21-24-12-13-25-21)19(28)9-11-26-31(29,30)20-17(22)3-2-4-18(20)23/h2-8,26H,9-14H2,1H3,(H,24,25).
What are the key properties of 3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide?
3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide has a molecular weight of 483.42 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide is sourced from PubChem (CID 143223977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).