2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C20H24N2O3S — CID 2468063

IUPAC2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1C
InChIInChI=1S/C20H24N2O3S/c1-14-10-11-17(12-15(14)2)26(24,25)21-13-20(23)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,10-12,19,21H,5,7,9,13H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyASEBQSVYEWSDSO-IBGZPJMESA-N
MW372.49 g/mol
LogP2.78
Rot. Bonds5

About 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 2468063) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID2468063
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1C
InChIInChI=1S/C20H24N2O3S/c1-14-10-11-17(12-15(14)2)26(24,25)21-13-20(23)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,10-12,19,21H,5,7,9,13H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyASEBQSVYEWSDSO-IBGZPJMESA-N
XLogP2.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-5-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 47018416
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2122910
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873518
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2546590
2-[(4-acetamidophenyl)sulfonylamino]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 25492643
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;oxalic acid
CID 11948724
3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 35805221
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7995350
3-[(3-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 30939297
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40794777
2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873545

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 2468063) is 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is ASEBQSVYEWSDSO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-10-11-17(12-15(14)2)26(24,25)21-13-20(23)22-19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,10-12,19,21H,5,7,9,13H2,1-2H3,(H,22,23)/t19-/m0/s1.
What are the key properties of 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 372.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 2468063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).