N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide

C20H27N3O5S — CID 9277010

IUPACN-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)o1
InChIInChI=1S/C20H27N3O5S/c1-10-8-11(2)14(5)18(13(10)4)29(26,27)23-15(6)19(24)21-22-20(25)17-9-12(3)28-16(17)7/h8-9,15,23H,1-7H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyKPFVWTIQGJKQIY-HNNXBMFYSA-N
MW421.52 g/mol
LogP2.26
Rot. Bonds5

About N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 9277010) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID9277010
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)o1
InChIInChI=1S/C20H27N3O5S/c1-10-8-11(2)14(5)18(13(10)4)29(26,27)23-15(6)19(24)21-22-20(25)17-9-12(3)28-16(17)7/h8-9,15,23H,1-7H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyKPFVWTIQGJKQIY-HNNXBMFYSA-N
XLogP2.26
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)sulfonylfuran-3-carboxamide
CID 78895737
N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 9468147
N-pyridin-4-yl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 17467528
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
N'-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26487286
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796
N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 31289347
N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 51145728
N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9468163
methyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzoate
CID 9068798

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 9277010) is N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)o1.
What is the InChIKey of N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is KPFVWTIQGJKQIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-10-8-11(2)14(5)18(13(10)4)29(26,27)23-15(6)19(24)21-22-20(25)17-9-12(3)28-16(17)7/h8-9,15,23H,1-7H3,(H,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 9277010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).