N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide

C19H24N4O5S2 — CID 30452714

IUPACN-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCNC(=O)c2ccsc2)c1
InChIInChI=1S/C19H24N4O5S2/c1-3-23(4-2)30(27,28)16-7-5-6-14(12-16)19(26)22-21-17(24)8-10-20-18(25)15-9-11-29-13-15/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,20,25)(H,21,24)(H,22,26)
InChIKeyKHSJNPZWTJNZOZ-UHFFFAOYSA-N
MW452.56 g/mol
LogP1.36
Rot. Bonds9

About N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 30452714) has the molecular formula C19H24N4O5S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID30452714
Molecular FormulaC19H24N4O5S2
Molecular Weight452.56 g/mol
Exact Mass452.12
IUPAC NameN-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCNC(=O)c2ccsc2)c1
InChIInChI=1S/C19H24N4O5S2/c1-3-23(4-2)30(27,28)16-7-5-6-14(12-16)19(26)22-21-17(24)8-10-20-18(25)15-9-11-29-13-15/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,20,25)(H,21,24)(H,22,26)
InChIKeyKHSJNPZWTJNZOZ-UHFFFAOYSA-N
XLogP1.36
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.36
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

N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 27607144
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
CID 2712341
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 43029748
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 46651853
N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 34524023
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2712357
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide (CID 30452714) is N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCNC(=O)c2ccsc2)c1.
What is the InChIKey of N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is KHSJNPZWTJNZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S2/c1-3-23(4-2)30(27,28)16-7-5-6-14(12-16)19(26)22-21-17(24)8-10-20-18(25)15-9-11-29-13-15/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,20,25)(H,21,24)(H,22,26).
What are the key properties of N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 30452714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).