N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide

C27H30N2O5S — CID 44574214

IUPACN-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)Cc4cccc(OC)c4)ccc3CC[C@H]2O)cc1
InChIInChI=1S/C27H30N2O5S/c1-3-18-7-12-23(13-8-18)35(32,33)29-27-24-17-21(11-9-20(24)10-14-25(27)30)28-26(31)16-19-5-4-6-22(15-19)34-2/h4-9,11-13,15,17,25,27,29-30H,3,10,14,16H2,1-2H3,(H,28,31)/t25-,27-/m1/s1
InChIKeyWJNHYJHZIDWVRZ-XNMGPUDCSA-N
MW494.61 g/mol
LogP3.77
Rot. Bonds8

About N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide

N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 44574214) has the molecular formula C27H30N2O5S and a molecular weight of 494.61 g/mol. Its IUPAC name is N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID44574214
Molecular FormulaC27H30N2O5S
Molecular Weight494.61 g/mol
Exact Mass494.19
IUPAC NameN-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)Cc4cccc(OC)c4)ccc3CC[C@H]2O)cc1
InChIInChI=1S/C27H30N2O5S/c1-3-18-7-12-23(13-8-18)35(32,33)29-27-24-17-21(11-9-20(24)10-14-25(27)30)28-26(31)16-19-5-4-6-22(15-19)34-2/h4-9,11-13,15,17,25,27,29-30H,3,10,14,16H2,1-2H3,(H,28,31)/t25-,27-/m1/s1
InChIKeyWJNHYJHZIDWVRZ-XNMGPUDCSA-N
XLogP3.77
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 157172855
4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 58290817
2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110778748
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24535951
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
N-(benzenesulfonyl)-2-(3-methoxyphenyl)acetamide
CID 139754173
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 3932456
2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
CID 16665833
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087
4-[[2-(3-methoxyphenyl)acetyl]amino]-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide (CID 44574214) is N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide is CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)Cc4cccc(OC)c4)ccc3CC[C@H]2O)cc1.
What is the InChIKey of N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is WJNHYJHZIDWVRZ-XNMGPUDCSA-N. The full InChI is InChI=1S/C27H30N2O5S/c1-3-18-7-12-23(13-8-18)35(32,33)29-27-24-17-21(11-9-20(24)10-14-25(27)30)28-26(31)16-19-5-4-6-22(15-19)34-2/h4-9,11-13,15,17,25,27,29-30H,3,10,14,16H2,1-2H3,(H,28,31)/t25-,27-/m1/s1.
What are the key properties of N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide?
N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 494.61 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 44574214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).