N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C18H21N3O4S2 — CID 55389024

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccccc1SCC(N)=O)S(C)(=O)=O
InChIInChI=1S/C18H21N3O4S2/c1-13-7-3-5-9-15(13)21(27(2,24)25)11-18(23)20-14-8-4-6-10-16(14)26-12-17(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyKVGXIAXMXUXORL-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.98
Rot. Bonds8

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 55389024) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID55389024
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccccc1SCC(N)=O)S(C)(=O)=O
InChIInChI=1S/C18H21N3O4S2/c1-13-7-3-5-9-15(13)21(27(2,24)25)11-18(23)20-14-8-4-6-10-16(14)26-12-17(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyKVGXIAXMXUXORL-UHFFFAOYSA-N
XLogP1.98
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880
N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55726000
2-(2-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 2209148
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30275463
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9042175
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-[(2S)-butan-2-yl]-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126118433
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30275443

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 55389024) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is Cc1ccccc1N(CC(=O)Nc1ccccc1SCC(N)=O)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is KVGXIAXMXUXORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-13-7-3-5-9-15(13)21(27(2,24)25)11-18(23)20-14-8-4-6-10-16(14)26-12-17(19)22/h3-10H,11-12H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 407.52 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 55389024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).