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

C23H30N4O3S — CID 143223940

IUPACN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCc1cc(C)cc(S(=O)(=O)NCCC(=O)N(C)CCc2ccc(C3=NCCN3)cc2)c1
InChIInChI=1S/C23H30N4O3S/c1-17-14-18(2)16-21(15-17)31(29,30)26-10-8-22(28)27(3)13-9-19-4-6-20(7-5-19)23-24-11-12-25-23/h4-7,14-16,26H,8-13H2,1-3H3,(H,24,25)
InChIKeyTUGBFPFDAGPKGY-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.02
Rot. Bonds9

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

N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 143223940) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID143223940
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCc1cc(C)cc(S(=O)(=O)NCCC(=O)N(C)CCc2ccc(C3=NCCN3)cc2)c1
InChIInChI=1S/C23H30N4O3S/c1-17-14-18(2)16-21(15-17)31(29,30)26-10-8-22(28)27(3)13-9-19-4-6-20(7-5-19)23-24-11-12-25-23/h4-7,14-16,26H,8-13H2,1-3H3,(H,24,25)
InChIKeyTUGBFPFDAGPKGY-UHFFFAOYSA-N
XLogP2.02
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 143223977
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-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
CID 58638694
3-[(3,5-dichloro-4-hydroxyphenyl)sulfonylmethylamino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide
CID 69423057
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propylphenyl)sulfonylamino]propanamide
CID 11719752
4-[benzenesulfonyl(methyl)amino]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylbutanamide
CID 11640788
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-4-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide
CID 58638734
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-4-(thiophen-3-ylsulfonylmethylamino)butanamide
CID 69424579
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
3-(1-benzothiophen-2-ylsulfonylmethylamino)-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylpropanamide;hydrochloride
CID 69424016

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide (CID 143223940) is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide is Cc1cc(C)cc(S(=O)(=O)NCCC(=O)N(C)CCc2ccc(C3=NCCN3)cc2)c1.
What is the InChIKey of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is TUGBFPFDAGPKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-17-14-18(2)16-21(15-17)31(29,30)26-10-8-22(28)27(3)13-9-19-4-6-20(7-5-19)23-24-11-12-25-23/h4-7,14-16,26H,8-13H2,1-3H3,(H,24,25).
What are the key properties of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 442.59 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-3-[(3,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 143223940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).