2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide

C23H28N2O4S — CID 52510634

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C23H28N2O4S/c1-16(26)17-9-11-18(12-10-17)30(28,29)25(4)15-22(27)24-21-13-14-23(2,3)20-8-6-5-7-19(20)21/h5-12,21H,13-15H2,1-4H3,(H,24,27)/t21-/m1/s1
InChIKeySQPNBSLNKQEGLB-OAQYLSRUSA-N
MW428.55 g/mol
LogP3.44
Rot. Bonds6

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide (PubChem CID 52510634) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide
PubChem CID52510634
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C23H28N2O4S/c1-16(26)17-9-11-18(12-10-17)30(28,29)25(4)15-22(27)24-21-13-14-23(2,3)20-8-6-5-7-19(20)21/h5-12,21H,13-15H2,1-4H3,(H,24,27)/t21-/m1/s1
InChIKeySQPNBSLNKQEGLB-OAQYLSRUSA-N
XLogP3.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 52909094
N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 52909093
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 17455713
2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 124569374
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-(2,2-difluoroethyl)piperidin-4-yl]acetamide
CID 49073422
2-(cyclopropylmethylamino)-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide;hydrochloride
CID 119758390
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133228869
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22518713
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide
CID 102555556
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55961219
2-[benzenesulfonyl(methyl)amino]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 71942327

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide (CID 52510634) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The InChIKey is SQPNBSLNKQEGLB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16(26)17-9-11-18(12-10-17)30(28,29)25(4)15-22(27)24-21-13-14-23(2,3)20-8-6-5-7-19(20)21/h5-12,21H,13-15H2,1-4H3,(H,24,27)/t21-/m1/s1.
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide has a molecular weight of 428.55 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]acetamide is sourced from PubChem (CID 52510634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).