(NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide

C23H28N4O2S2 — CID 177412514

IUPAC(NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide
SMILESCCCCc1c(N(C)C)nc(Nc2ccccc2)s/c1=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H28N4O2S2/c1-5-6-12-20-21(27(3)4)25-23(24-18-10-8-7-9-11-18)30-22(20)26-31(28,29)19-15-13-17(2)14-16-19/h7-11,13-16H,5-6,12H2,1-4H3,(H,24,25)/b26-22+
InChIKeyWNZZUSWBCTUZGO-XTCLZLMSSA-N
MW456.64 g/mol
LogP4.89
Rot. Bonds8

About (NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide

(NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide (PubChem CID 177412514) has the molecular formula C23H28N4O2S2 and a molecular weight of 456.64 g/mol. Its IUPAC name is (NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide
PubChem CID177412514
Molecular FormulaC23H28N4O2S2
Molecular Weight456.64 g/mol
Exact Mass456.17
IUPAC Name(NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide
SMILESCCCCc1c(N(C)C)nc(Nc2ccccc2)s/c1=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H28N4O2S2/c1-5-6-12-20-21(27(3)4)25-23(24-18-10-8-7-9-11-18)30-22(20)26-31(28,29)19-15-13-17(2)14-16-19/h7-11,13-16H,5-6,12H2,1-4H3,(H,24,25)/b26-22+
InChIKeyWNZZUSWBCTUZGO-XTCLZLMSSA-N
XLogP4.89
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.64
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-butyl-N-phenyl-1,3-thiazol-2-amine
CID 141316457
2-(benzenesulfonylmethyl)-3-(4-methylphenyl)-N-phenyl-1,2,4-thiadiazol-2-ium-5-amine
CID 1380190
5-chloro-N-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
CID 11337935
(NE)-N-[3-butyl-4-(4-methylphenyl)sulfonyl-1H-azet-2-ylidene]-4-methylbenzenesulfonamide
CID 177450788
2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423504
2-(2-anilino-4-methyl-1,3-thiazol-5-yl)ethyl nitrate
CID 11492854
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 4030330
4-methyl-2-(4-methylsulfonylanilino)-1,3-thiazole-5-carboxylic acid
CID 80569518
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
4-ethyl-N-[3-(4-methylanilino)-4-oxonaphthalen-1-ylidene]benzenesulfonamide
CID 3332874
N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide
CID 102421341

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide (CID 177412514) is (NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide is CCCCc1c(N(C)C)nc(Nc2ccccc2)s/c1=N/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is WNZZUSWBCTUZGO-XTCLZLMSSA-N. The full InChI is InChI=1S/C23H28N4O2S2/c1-5-6-12-20-21(27(3)4)25-23(24-18-10-8-7-9-11-18)30-22(20)26-31(28,29)19-15-13-17(2)14-16-19/h7-11,13-16H,5-6,12H2,1-4H3,(H,24,25)/b26-22+.
What are the key properties of (NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide?
(NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 456.64 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-anilino-5-butyl-4-(dimethylamino)-1,3-thiazin-6-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 177412514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).