N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide

C20H24N4O2S — CID 56836671

IUPACN-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2cccc(C(CN)Cc3ccccc3)c2)c1
InChIInChI=1S/C20H24N4O2S/c1-24-14-20(22-15-24)27(25,26)23-13-17-8-5-9-18(11-17)19(12-21)10-16-6-3-2-4-7-16/h2-9,11,14-15,19,23H,10,12-13,21H2,1H3
InChIKeyBRSSHYRDXFAGBU-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.18
Rot. Bonds8

About N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide

N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 56836671) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
PubChem CID56836671
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2cccc(C(CN)Cc3ccccc3)c2)c1
InChIInChI=1S/C20H24N4O2S/c1-24-14-20(22-15-24)27(25,26)23-13-17-8-5-9-18(11-17)19(12-21)10-16-6-3-2-4-7-16/h2-9,11,14-15,19,23H,10,12-13,21H2,1H3
InChIKeyBRSSHYRDXFAGBU-UHFFFAOYSA-N
XLogP2.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide (CID 56836671) is N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2cccc(C(CN)Cc3ccccc3)c2)c1.
What is the InChIKey of N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is BRSSHYRDXFAGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-24-14-20(22-15-24)27(25,26)23-13-17-8-5-9-18(11-17)19(12-21)10-16-6-3-2-4-7-16/h2-9,11,14-15,19,23H,10,12-13,21H2,1H3.
What are the key properties of N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide?
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 384.51 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 56836671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).