N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide

C26H30N4O3S — CID 58638732

IUPACN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCN(C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C26H30N4O3S/c1-29(18-14-20-10-12-22(13-11-20)26-27-16-17-28-26)25(31)15-19-30(2)34(32,33)24-9-5-7-21-6-3-4-8-23(21)24/h3-13H,14-19H2,1-2H3,(H,27,28)
InChIKeyYWAWEUUEOSYYHY-UHFFFAOYSA-N
MW478.62 g/mol
LogP2.90
Rot. Bonds9

About N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide

N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide (PubChem CID 58638732) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide
PubChem CID58638732
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCN(C)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C26H30N4O3S/c1-29(18-14-20-10-12-22(13-11-20)26-27-16-17-28-26)25(31)15-19-30(2)34(32,33)24-9-5-7-21-6-3-4-8-23(21)24/h3-13H,14-19H2,1-2H3,(H,27,28)
InChIKeyYWAWEUUEOSYYHY-UHFFFAOYSA-N
XLogP2.90
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide?
The IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide (CID 58638732) is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide.
What is the SMILES notation for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide?
The canonical SMILES for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide is CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCN(C)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide?
The InChIKey is YWAWEUUEOSYYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-29(18-14-20-10-12-22(13-11-20)26-27-16-17-28-26)25(31)15-19-30(2)34(32,33)24-9-5-7-21-6-3-4-8-23(21)24/h3-13H,14-19H2,1-2H3,(H,27,28).
What are the key properties of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide?
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide has a molecular weight of 478.62 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 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]-N-methyl-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanamide is sourced from PubChem (CID 58638732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).