N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide

C26H32N4O2S — CID 57471415

IUPACN-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCCC2)CC3)c1
InChIInChI=1S/C26H32N4O2S/c1-29-18-26(27-19-29)33(31,32)28-17-21-9-10-22-11-12-25(30-13-5-6-14-30)24(23(22)16-21)15-20-7-3-2-4-8-20/h2-4,7-10,16,18-19,24-25,28H,5-6,11-15,17H2,1H3
InChIKeyCBNRDLAQONVDTJ-UHFFFAOYSA-N
MW464.64 g/mol
LogP3.64
Rot. Bonds7

About N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide

N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 57471415) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide
PubChem CID57471415
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC NameN-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCCC2)CC3)c1
InChIInChI=1S/C26H32N4O2S/c1-29-18-26(27-19-29)33(31,32)28-17-21-9-10-22-11-12-25(30-13-5-6-14-30)24(23(22)16-21)15-20-7-3-2-4-8-20/h2-4,7-10,16,18-19,24-25,28H,5-6,11-15,17H2,1H3
InChIKeyCBNRDLAQONVDTJ-UHFFFAOYSA-N
XLogP3.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide (CID 57471415) is N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCCC2)CC3)c1.
What is the InChIKey of N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is CBNRDLAQONVDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-29-18-26(27-19-29)33(31,32)28-17-21-9-10-22-11-12-25(30-13-5-6-14-30)24(23(22)16-21)15-20-7-3-2-4-8-20/h2-4,7-10,16,18-19,24-25,28H,5-6,11-15,17H2,1H3.
What are the key properties of N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 464.64 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 57471415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).