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

C21H28N4O4S — CID 11711712

IUPACN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccco1
InChIInChI=1S/C21H28N4O4S/c1-24(15-11-17-7-9-18(10-8-17)21-22-12-13-23-21)19(26)5-3-14-25(2)30(27,28)20-6-4-16-29-20/h4,6-10,16H,3,5,11-15H2,1-2H3,(H,22,23)
InChIKeyMEYYXMNZTSBGFS-UHFFFAOYSA-N
MW432.55 g/mol
LogP1.73
Rot. Bonds10

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

N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide (PubChem CID 11711712) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide
PubChem CID11711712
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccco1
InChIInChI=1S/C21H28N4O4S/c1-24(15-11-17-7-9-18(10-8-17)21-22-12-13-23-21)19(26)5-3-14-25(2)30(27,28)20-6-4-16-29-20/h4,6-10,16H,3,5,11-15H2,1-2H3,(H,22,23)
InChIKeyMEYYXMNZTSBGFS-UHFFFAOYSA-N
XLogP1.73
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide?
The IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide (CID 11711712) is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide.
What is the SMILES notation for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide?
The canonical SMILES for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide is CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccco1.
What is the InChIKey of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide?
The InChIKey is MEYYXMNZTSBGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-24(15-11-17-7-9-18(10-8-17)21-22-12-13-23-21)19(26)5-3-14-25(2)30(27,28)20-6-4-16-29-20/h4,6-10,16H,3,5,11-15H2,1-2H3,(H,22,23).
What are the key properties of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide?
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide has a molecular weight of 432.55 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-4-[furan-2-ylsulfonyl(methyl)amino]-N-methylbutanamide is sourced from PubChem (CID 11711712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).