N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide

C20H24N2O5S — CID 54530988

IUPACN-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCc3cc(NC(C)=O)ccc32)cc1OC
InChIInChI=1S/C20H24N2O5S/c1-13(23)21-15-7-9-17-14(11-15)5-4-6-18(17)22-28(24,25)16-8-10-19(26-2)20(12-16)27-3/h7-12,18,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyYWNFVHYFBUOIBF-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.02
Rot. Bonds6

About N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide

N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 54530988) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
PubChem CID54530988
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCc3cc(NC(C)=O)ccc32)cc1OC
InChIInChI=1S/C20H24N2O5S/c1-13(23)21-15-7-9-17-14(11-15)5-4-6-18(17)22-28(24,25)16-8-10-19(26-2)20(12-16)27-3/h7-12,18,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyYWNFVHYFBUOIBF-UHFFFAOYSA-N
XLogP3.02
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390
3-bromo-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30325571
3-bromo-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43916531
3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 110399780
N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide
CID 120722247
N-[3-[(5-methyl-2,3-dihydro-1H-inden-1-yl)sulfamoyl]phenyl]acetamide
CID 167954905
4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 110399781
4-methoxy-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dimethylbenzenesulfonamide
CID 100753581
methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate
CID 133235599
4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
CID 86870489
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 110399734
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28538778

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide (CID 54530988) is N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide is COc1ccc(S(=O)(=O)NC2CCCc3cc(NC(C)=O)ccc32)cc1OC.
What is the InChIKey of N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is YWNFVHYFBUOIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13(23)21-15-7-9-17-14(11-15)5-4-6-18(17)22-28(24,25)16-8-10-19(26-2)20(12-16)27-3/h7-12,18,22H,4-6H2,1-3H3,(H,21,23).
What are the key properties of N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide?
N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 404.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 54530988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).