N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

C17H18N2O4S2 — CID 26281037

IUPACN'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C17H18N2O4S2/c1-25(22,23)10-11-4-2-6-13(8-11)16(20)18-19-17(21)15-9-12-5-3-7-14(12)24-15/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyXRWQAEXNSBBWSH-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.86
Rot. Bonds4

About N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (PubChem CID 26281037) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
PubChem CID26281037
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC NameN'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C17H18N2O4S2/c1-25(22,23)10-11-4-2-6-13(8-11)16(20)18-19-17(21)15-9-12-5-3-7-14(12)24-15/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyXRWQAEXNSBBWSH-UHFFFAOYSA-N
XLogP1.86
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylsulfonylbenzoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 25443653
N'-[3-(methoxymethyl)benzoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9426553
3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-N-methylbenzenesulfonamide
CID 27684841
N-[3-[(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]methanesulfonamide
CID 25444396
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
N'-(3-methoxybenzoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9441649
N-[[3-(methylcarbamoyl)phenyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 33203791
N'-(3-piperidin-1-ylsulfonylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 26778436
N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684415
N'-[2-(3-fluorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684200
N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 46656696
1-oxido-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)pyridin-1-ium-3-carbohydrazide
CID 27164726

Frequently Asked Questions

What is the IUPAC name of N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The IUPAC name of N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (CID 26281037) is N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is CS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2cc3c(s2)CCC3)c1.
What is the InChIKey of N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The InChIKey is XRWQAEXNSBBWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-25(22,23)10-11-4-2-6-13(8-11)16(20)18-19-17(21)15-9-12-5-3-7-14(12)24-15/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide has a molecular weight of 378.48 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(methylsulfonylmethyl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 26281037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).