N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide

C26H24N2O3S2 — CID 56656245

IUPACN-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CN(CCSc2ccccc2)C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H24N2O3S2/c27-33(30,31)23-15-13-20(14-16-23)19-28(17-18-32-22-9-2-1-3-10-22)26(29)25-12-6-8-21-7-4-5-11-24(21)25/h1-16H,17-19H2,(H2,27,30,31)
InChIKeyCLLUQQWBMQHUDO-UHFFFAOYSA-N
MW476.62 g/mol
LogP4.92
Rot. Bonds8

About N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide

N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide (PubChem CID 56656245) has the molecular formula C26H24N2O3S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
PubChem CID56656245
Molecular FormulaC26H24N2O3S2
Molecular Weight476.62 g/mol
Exact Mass476.12
IUPAC NameN-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CN(CCSc2ccccc2)C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H24N2O3S2/c27-33(30,31)23-15-13-20(14-16-23)19-28(17-18-32-22-9-2-1-3-10-22)26(29)25-12-6-8-21-7-4-5-11-24(21)25/h1-16H,17-19H2,(H2,27,30,31)
InChIKeyCLLUQQWBMQHUDO-UHFFFAOYSA-N
XLogP4.92
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[(E)-2-methylbut-2-enyl]-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide
CID 143852645
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 42695464
2-[4-[[(4-azidophenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]sulfonyl-1-naphthalen-1-ylethanone;sulfur dioxide
CID 123989891
N-[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonyl-4-pyridin-2-ylbenzamide
CID 121298499
[2-methoxy-5-[[2-methoxyethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate
CID 3310846
[4-[[(4-fluorophenyl)methyl-(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate
CID 4214395
N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide
CID 1057302
N-[4-[[2-phenylsulfanylethyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]sulfonyl-4-(trifluoromethoxy)benzamide
CID 56656109
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide
CID 42703297

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide (CID 56656245) is N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide is NS(=O)(=O)c1ccc(CN(CCSc2ccccc2)C(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide?
The InChIKey is CLLUQQWBMQHUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S2/c27-33(30,31)23-15-13-20(14-16-23)19-28(17-18-32-22-9-2-1-3-10-22)26(29)25-12-6-8-21-7-4-5-11-24(21)25/h1-16H,17-19H2,(H2,27,30,31).
What are the key properties of N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide?
N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 56656245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).