N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide

C23H25N3O4S2 — CID 24644296

IUPACN-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C23H25N3O4S2/c1-14(2)21(23(28)25-24-22(27)20-13-17-8-5-9-19(17)31-20)26-32(29,30)18-11-10-15-6-3-4-7-16(15)12-18/h3-4,6-7,10-14,21,26H,5,8-9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQKBZTOXACUCUPI-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.15
Rot. Bonds6

About N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide

N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide (PubChem CID 24644296) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide
PubChem CID24644296
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C23H25N3O4S2/c1-14(2)21(23(28)25-24-22(27)20-13-17-8-5-9-19(17)31-20)26-32(29,30)18-11-10-15-6-3-4-7-16(15)12-18/h3-4,6-7,10-14,21,26H,5,8-9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQKBZTOXACUCUPI-UHFFFAOYSA-N
XLogP3.15
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.15
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

(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 43004218
N'-(2-naphthalen-2-yloxyacetyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684541
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
CID 18164733
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 42911013
3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-N-methylbenzenesulfonamide
CID 27684841
N-[(1S)-1-naphthalen-2-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7899677
N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24596633
N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide
CID 42892638

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide (CID 24644296) is N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide is CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NNC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is QKBZTOXACUCUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-14(2)21(23(28)25-24-22(27)20-13-17-8-5-9-19(17)31-20)26-32(29,30)18-11-10-15-6-3-4-7-16(15)12-18/h3-4,6-7,10-14,21,26H,5,8-9H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide?
N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 471.60 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 24644296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).