N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C23H30N2O3S — CID 16831463

IUPACN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCOCC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-18-6-8-20(9-7-18)23(25-12-14-28-15-13-25)17-24-29(26,27)22-11-10-19-4-2-3-5-21(19)16-22/h6-11,16,23-24H,2-5,12-15,17H2,1H3
InChIKeyLZMNNGBWPGVVNC-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 16831463) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID16831463
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCOCC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-18-6-8-20(9-7-18)23(25-12-14-28-15-13-25)17-24-29(26,27)22-11-10-19-4-2-3-5-21(19)16-22/h6-11,16,23-24H,2-5,12-15,17H2,1H3
InChIKeyLZMNNGBWPGVVNC-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 32942505
N-[(2S)-2-morpholin-4-ylpropyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51873210
4-N-cyclopropyl-1-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzene-1,4-disulfonamide
CID 55873638
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 43064531
4-fluoro-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903236
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3,4-dimethylbenzenesulfonamide
CID 43956567
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
CID 112503641
3,4-difluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42891982
2-methoxy-4,5-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 22694281
2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 9125340

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 16831463) is N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1ccc(C(CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is LZMNNGBWPGVVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-18-6-8-20(9-7-18)23(25-12-14-28-15-13-25)17-24-29(26,27)22-11-10-19-4-2-3-5-21(19)16-22/h6-11,16,23-24H,2-5,12-15,17H2,1H3.
What are the key properties of N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 414.57 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 16831463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).