N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide

C16H18N4O5S2 — CID 4845797

IUPACN-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N4O5S2/c1-11(21)17-12-5-7-13(8-6-12)27(24,25)20(2)10-15(22)18-19-16(23)14-4-3-9-26-14/h3-9H,10H2,1-2H3,(H,17,21)(H,18,22)(H,19,23)
InChIKeyQGJLILLSTRZSLQ-UHFFFAOYSA-N
MW410.48 g/mol
LogP0.79
Rot. Bonds6

About N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide

N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 4845797) has the molecular formula C16H18N4O5S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide
PubChem CID4845797
Molecular FormulaC16H18N4O5S2
Molecular Weight410.48 g/mol
Exact Mass410.07
IUPAC NameN-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N4O5S2/c1-11(21)17-12-5-7-13(8-6-12)27(24,25)20(2)10-15(22)18-19-16(23)14-4-3-9-26-14/h3-9H,10H2,1-2H3,(H,17,21)(H,18,22)(H,19,23)
InChIKeyQGJLILLSTRZSLQ-UHFFFAOYSA-N
XLogP0.79
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Thiophenecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
CID 213545
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
N-[4-(dipropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 2931351
N-(4-fluorophenyl)-4-(piperidin-1-ylsulfonyl)thiophene-2-carboxamide
CID 1252955
N-[4-(diethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 730596
N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-2-thiophenecarboxamide
CID 1094288
5-methyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-thiophenecarboxamide
CID 1245786
N-(2-fluorophenyl)-4-(1-piperidinylsulfonyl)-2-thiophenecarboxamide
CID 1310286
N-[4-(dibutylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2186090
Thiophene-2-carboxylic acid [4-(4-phenyl-piperazine-1-sulfonyl)-phenyl]-amide
CID 2215718
N-(4-sulfamoylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2526433

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide (CID 4845797) is N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is QGJLILLSTRZSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S2/c1-11(21)17-12-5-7-13(8-6-12)27(24,25)20(2)10-15(22)18-19-16(23)14-4-3-9-26-14/h3-9H,10H2,1-2H3,(H,17,21)(H,18,22)(H,19,23).
What are the key properties of N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide?
N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 410.48 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4845797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).