N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide

C15H18N2O3S2 — CID 8617065

IUPACN'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-3-11(2)12-6-8-13(9-7-12)22(19,20)17-16-15(18)14-5-4-10-21-14/h4-11,17H,3H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyZXFOFIVAVCWBLQ-NSHDSACASA-N
MW338.45 g/mol
LogP2.88
Rot. Bonds6

About N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide

N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide (PubChem CID 8617065) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide
PubChem CID8617065
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-3-11(2)12-6-8-13(9-7-12)22(19,20)17-16-15(18)14-5-4-10-21-14/h4-11,17H,3H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyZXFOFIVAVCWBLQ-NSHDSACASA-N
XLogP2.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2S)-butan-2-yl]phenyl]thiophene-2-carboxamide
CID 668928
N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617155
N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide
CID 8617039
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-3-chlorobenzohydrazide
CID 8616616
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 4128093
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46616393
N'-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-2-(4-chlorophenoxy)acetohydrazide
CID 8615100
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-5-chloro-2-methoxybenzohydrazide
CID 8615539
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide
CID 96531023
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide?
The IUPAC name of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide (CID 8617065) is N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide is CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide?
The InChIKey is ZXFOFIVAVCWBLQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-3-11(2)12-6-8-13(9-7-12)22(19,20)17-16-15(18)14-5-4-10-21-14/h4-11,17H,3H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide?
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide has a molecular weight of 338.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide is sourced from PubChem (CID 8617065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).