4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide

C20H27N5O6S2 — CID 31717997

IUPAC4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C(C)C)cc1
InChIInChI=1S/C20H27N5O6S2/c1-13(2)17(24-33(28,29)15-6-4-14(30-3)5-7-15)19(27)23-22-18(26)16-12-32-20(21-16)25-8-10-31-11-9-25/h4-7,12-13,17,24H,8-11H2,1-3H3,(H,22,26)(H,23,27)/t17-/m0/s1
InChIKeyGZPGRHHRDWPQQX-KRWDZBQOSA-N
MW497.60 g/mol
LogP0.75
Rot. Bonds8

About 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide

4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide (PubChem CID 31717997) has the molecular formula C20H27N5O6S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide
PubChem CID31717997
Molecular FormulaC20H27N5O6S2
Molecular Weight497.60 g/mol
Exact Mass497.14
IUPAC Name4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C(C)C)cc1
InChIInChI=1S/C20H27N5O6S2/c1-13(2)17(24-33(28,29)15-6-4-14(30-3)5-7-15)19(27)23-22-18(26)16-12-32-20(21-16)25-8-10-31-11-9-25/h4-7,12-13,17,24H,8-11H2,1-3H3,(H,22,26)(H,23,27)/t17-/m0/s1
InChIKeyGZPGRHHRDWPQQX-KRWDZBQOSA-N
XLogP0.75
TPSA138.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24980855
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)butanamide
CID 30770667
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 117094105
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
N'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17498202
2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide
CID 26950970
N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 26950907
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide
CID 46417562
(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 55937120

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide (CID 31717997) is 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is GZPGRHHRDWPQQX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O6S2/c1-13(2)17(24-33(28,29)15-6-4-14(30-3)5-7-15)19(27)23-22-18(26)16-12-32-20(21-16)25-8-10-31-11-9-25/h4-7,12-13,17,24H,8-11H2,1-3H3,(H,22,26)(H,23,27)/t17-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide?
4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 497.60 g/mol, XLogP of 0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 31717997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).