1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide

C23H20N4O2S2 — CID 66907108

IUPAC1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide
SMILESCc1c(N(Cc2cccc3cccnc23)S(=O)(=O)c2cn(C)cn2)sc2ccccc12
InChIInChI=1S/C23H20N4O2S2/c1-16-19-10-3-4-11-20(19)30-23(16)27(31(28,29)21-14-26(2)15-25-21)13-18-8-5-7-17-9-6-12-24-22(17)18/h3-12,14-15H,13H2,1-2H3
InChIKeyMFVBCBSUDNSMHB-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.89
Rot. Bonds5

About 1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide

1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide (PubChem CID 66907108) has the molecular formula C23H20N4O2S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide
PubChem CID66907108
Molecular FormulaC23H20N4O2S2
Molecular Weight448.57 g/mol
Exact Mass448.10
IUPAC Name1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide
SMILESCc1c(N(Cc2cccc3cccnc23)S(=O)(=O)c2cn(C)cn2)sc2ccccc12
InChIInChI=1S/C23H20N4O2S2/c1-16-19-10-3-4-11-20(19)30-23(16)27(31(28,29)21-14-26(2)15-25-21)13-18-8-5-7-17-9-6-12-24-22(17)18/h3-12,14-15H,13H2,1-2H3
InChIKeyMFVBCBSUDNSMHB-UHFFFAOYSA-N
XLogP4.89
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide (CID 66907108) is 1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide is Cc1c(N(Cc2cccc3cccnc23)S(=O)(=O)c2cn(C)cn2)sc2ccccc12.
What is the InChIKey of 1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is MFVBCBSUDNSMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S2/c1-16-19-10-3-4-11-20(19)30-23(16)27(31(28,29)21-14-26(2)15-25-21)13-18-8-5-7-17-9-6-12-24-22(17)18/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide?
1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 448.57 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-1-benzothiophen-2-yl)-N-(quinolin-8-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 66907108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).