N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide

C29H36N4O5S — CID 58393419

IUPACN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C(=O)N(C)CCc3ccc(C4=NCCN4)cc3)c(C)o2)c(C)c1
InChIInChI=1S/C29H36N4O5S/c1-19-15-24(37-6)16-20(2)27(19)39(35,36)33(5)18-25-17-26(21(3)38-25)29(34)32(4)14-11-22-7-9-23(10-8-22)28-30-12-13-31-28/h7-10,15-17H,11-14,18H2,1-6H3,(H,30,31)
InChIKeyLETGEUYAERRGHN-UHFFFAOYSA-N
MW552.70 g/mol
LogP3.70
Rot. Bonds10

About N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide

N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide (PubChem CID 58393419) has the molecular formula C29H36N4O5S and a molecular weight of 552.70 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide
PubChem CID58393419
Molecular FormulaC29H36N4O5S
Molecular Weight552.70 g/mol
Exact Mass552.24
IUPAC NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C(=O)N(C)CCc3ccc(C4=NCCN4)cc3)c(C)o2)c(C)c1
InChIInChI=1S/C29H36N4O5S/c1-19-15-24(37-6)16-20(2)27(19)39(35,36)33(5)18-25-17-26(21(3)38-25)29(34)32(4)14-11-22-7-9-23(10-8-22)28-30-12-13-31-28/h7-10,15-17H,11-14,18H2,1-6H3,(H,30,31)
InChIKeyLETGEUYAERRGHN-UHFFFAOYSA-N
XLogP3.70
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.70
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide with MolForge

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Related Compounds

CID 46176074
CID 46176074
CID 58393093
CID 58393093
CID 58393103
CID 58393103
CID 58393144
CID 58393144
CID 58393218
CID 58393218
CID 58393354
CID 58393354
CID 66648070
CID 66648070
CID 66648071
CID 66648071
CID 66648178
CID 66648178
CID 67328854
CID 67328854
CID 67329093
CID 67329093
CID 67329216
CID 67329216

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide (CID 58393419) is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide is COc1cc(C)c(S(=O)(=O)N(C)Cc2cc(C(=O)N(C)CCc3ccc(C4=NCCN4)cc3)c(C)o2)c(C)c1.
What is the InChIKey of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide?
The InChIKey is LETGEUYAERRGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O5S/c1-19-15-24(37-6)16-20(2)27(19)39(35,36)33(5)18-25-17-26(21(3)38-25)29(34)32(4)14-11-22-7-9-23(10-8-22)28-30-12-13-31-28/h7-10,15-17H,11-14,18H2,1-6H3,(H,30,31).
What are the key properties of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide?
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide has a molecular weight of 552.70 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 58393419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).