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

C26H32N4O3S — CID 57471411

IUPACN-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCOCC2)CC3)c1
InChIInChI=1S/C26H32N4O3S/c1-29-18-26(27-19-29)34(31,32)28-17-21-7-8-22-9-10-25(30-11-13-33-14-12-30)24(23(22)16-21)15-20-5-3-2-4-6-20/h2-8,16,18-19,24-25,28H,9-15,17H2,1H3
InChIKeyDTRCNBPRAZZCLL-UHFFFAOYSA-N
MW480.63 g/mol
LogP2.87
Rot. Bonds7

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

N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 57471411) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide
PubChem CID57471411
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC NameN-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCOCC2)CC3)c1
InChIInChI=1S/C26H32N4O3S/c1-29-18-26(27-19-29)34(31,32)28-17-21-7-8-22-9-10-25(30-11-13-33-14-12-30)24(23(22)16-21)15-20-5-3-2-4-6-20/h2-8,16,18-19,24-25,28H,9-15,17H2,1H3
InChIKeyDTRCNBPRAZZCLL-UHFFFAOYSA-N
XLogP2.87
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide (CID 57471411) is N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCOCC2)CC3)c1.
What is the InChIKey of N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is DTRCNBPRAZZCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-29-18-26(27-19-29)34(31,32)28-17-21-7-8-22-9-10-25(30-11-13-33-14-12-30)24(23(22)16-21)15-20-5-3-2-4-6-20/h2-8,16,18-19,24-25,28H,9-15,17H2,1H3.
What are the key properties of N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide?
N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 480.63 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-benzyl-7-morpholin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 57471411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).