N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide

C19H21FN2O3S — CID 24798449

IUPACN-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C19H21FN2O3S/c1-13(23)21-12-15-4-2-3-14-5-8-17(11-19(14)15)22-26(24,25)18-9-6-16(20)7-10-18/h5-11,15,22H,2-4,12H2,1H3,(H,21,23)
InChIKeyJGMVBTYEHGWWKM-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.18
Rot. Bonds5

About N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide

N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (PubChem CID 24798449) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
PubChem CID24798449
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21
InChIInChI=1S/C19H21FN2O3S/c1-13(23)21-12-15-4-2-3-14-5-8-17(11-19(14)15)22-26(24,25)18-9-6-16(20)7-10-18/h5-11,15,22H,2-4,12H2,1H3,(H,21,23)
InChIKeyJGMVBTYEHGWWKM-UHFFFAOYSA-N
XLogP3.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfamoyl)phenyl]acetamide
CID 42949923
3-fluoro-N-[(5S)-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68830238
N-[4-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfamoyl]phenyl]acetamide
CID 95317507
N-[4-[[4-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)methoxy]phenyl]phenyl]sulfamoyl]phenyl]acetamide
CID 54017704
3-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 141148482
2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide
CID 82080013
methyl N-[[6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 66651422
N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 21393481
N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(methylamino)acetamide
CID 46890884
4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46420133
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955739
2-amino-N-[[(1R)-6-(3-fluorophenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 46889353

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The IUPAC name of N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (CID 24798449) is N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The canonical SMILES for N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is CC(=O)NCC1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21.
What is the InChIKey of N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The InChIKey is JGMVBTYEHGWWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-13(23)21-12-15-4-2-3-14-5-8-17(11-19(14)15)22-26(24,25)18-9-6-16(20)7-10-18/h5-11,15,22H,2-4,12H2,1H3,(H,21,23).
What are the key properties of N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide has a molecular weight of 376.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is sourced from PubChem (CID 24798449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).