(2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide

C18H19N3O4S2 — CID 100536138

IUPAC(2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide
SMILESCN([C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O4S2/c1-20-14-10-9-13(11-15(14)26-18(20)23)19-17(22)16(21(2)27(3,24)25)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyXQDMSTLSXURVQA-MRXNPFEDSA-N
MW405.50 g/mol
LogP2.17
Rot. Bonds5

About (2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide

(2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide (PubChem CID 100536138) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide
PubChem CID100536138
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC Name(2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide
SMILESCN([C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O4S2/c1-20-14-10-9-13(11-15(14)26-18(20)23)19-17(22)16(21(2)27(3,24)25)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyXQDMSTLSXURVQA-MRXNPFEDSA-N
XLogP2.17
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054387
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(N-methylsulfonylanilino)acetamide
CID 100527183
N-(4-bromophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133210950
(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100534077
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100534259
4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100528512
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
CID 125054821
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 133203707
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100534318
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100531605
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide (CID 100536138) is (2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide is CN([C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide?
The InChIKey is XQDMSTLSXURVQA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-20-14-10-9-13(11-15(14)26-18(20)23)19-17(22)16(21(2)27(3,24)25)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,19,22)/t16-/m1/s1.
What are the key properties of (2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide?
(2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide has a molecular weight of 405.50 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylacetamide is sourced from PubChem (CID 100536138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).