3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C21H24N2O4S — CID 35805221

IUPAC3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O4S/c1-15(24)16-9-11-18(12-10-16)28(26,27)22-14-13-21(25)23-20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,9-12,20,22H,4,6,8,13-14H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyJWWBYJPBQUDPNA-HXUWFJFHSA-N
MW400.50 g/mol
LogP2.75
Rot. Bonds7

About 3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 35805221) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID35805221
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O4S/c1-15(24)16-9-11-18(12-10-16)28(26,27)22-14-13-21(25)23-20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,9-12,20,22H,4,6,8,13-14H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyJWWBYJPBQUDPNA-HXUWFJFHSA-N
XLogP2.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 30939297
3-[4-(propylsulfamoyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28557166
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92687874
4-(4-acetylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2125241
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2468063
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92688011
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
3-(4-methylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2467560
2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 25492643
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
3-[(4-chlorophenyl)sulfonylamino]-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 24547813
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216707

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 35805221) is 3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is JWWBYJPBQUDPNA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-15(24)16-9-11-18(12-10-16)28(26,27)22-14-13-21(25)23-20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,9-12,20,22H,4,6,8,13-14H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 400.50 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 35805221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).