N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide

C15H24N2O3S2 — CID 125075731

IUPACN-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide
SMILESCSc1cccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S2/c1-11(2)12(3)16-15(18)10-17(22(5,19)20)13-7-6-8-14(9-13)21-4/h6-9,11-12H,10H2,1-5H3,(H,16,18)/t12-/m1/s1
InChIKeySGONYXIPZJCTRE-GFCCVEGCSA-N
MW344.50 g/mol
LogP2.34
Rot. Bonds7

About N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide

N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide (PubChem CID 125075731) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide
PubChem CID125075731
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide
SMILESCSc1cccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S2/c1-11(2)12(3)16-15(18)10-17(22(5,19)20)13-7-6-8-14(9-13)21-4/h6-9,11-12H,10H2,1-5H3,(H,16,18)/t12-/m1/s1
InChIKeySGONYXIPZJCTRE-GFCCVEGCSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide
CID 132660307
N-[1-(4-methylphenyl)ethyl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide
CID 132659682
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133220259
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
CID 100563073
N-[1-(3,4-dimethylphenyl)propyl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide
CID 132666389
N-[1-(4-methoxyphenyl)propyl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide
CID 132666977
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133166319
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125074220
2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100563222
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100565454
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100563560
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 133243120

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide (CID 125075731) is N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide is CSc1cccc(N(CC(=O)N[C@H](C)C(C)C)S(C)(=O)=O)c1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide?
The InChIKey is SGONYXIPZJCTRE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-11(2)12(3)16-15(18)10-17(22(5,19)20)13-7-6-8-14(9-13)21-4/h6-9,11-12H,10H2,1-5H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide?
N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide has a molecular weight of 344.50 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-(3-methylsulfanyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 125075731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).