N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

C23H26N2O3S — CID 8008595

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O3S/c1-4-17(2)21-11-7-8-12-22(21)24-23(26)16-25(3)29(27,28)20-14-13-18-9-5-6-10-19(18)15-20/h5-15,17H,4,16H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyRFVNMFOWKOEEMM-KRWDZBQOSA-N
MW410.54 g/mol
LogP4.61
Rot. Bonds7

About N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 8008595) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
PubChem CID8008595
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O3S/c1-4-17(2)21-11-7-8-12-22(21)24-23(26)16-25(3)29(27,28)20-14-13-18-9-5-6-10-19(18)15-20/h5-15,17H,4,16H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyRFVNMFOWKOEEMM-KRWDZBQOSA-N
XLogP4.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7718780
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 45375148
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
N-(2,6-diethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2203258
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
N-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401362
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2670785
N-(5-chloro-2-pyridinyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27161179

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 8008595) is N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is CC[C@H](C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The InChIKey is RFVNMFOWKOEEMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-4-17(2)21-11-7-8-12-22(21)24-23(26)16-25(3)29(27,28)20-14-13-18-9-5-6-10-19(18)15-20/h5-15,17H,4,16H2,1-3H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide has a molecular weight of 410.54 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 8008595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).