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

C17H20N4O3S — CID 27607144

IUPACN-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(C)c1cccc(C(=O)NNC(=O)CCNC(=O)c2ccsc2)c1
InChIInChI=1S/C17H20N4O3S/c1-21(2)14-5-3-4-12(10-14)17(24)20-19-15(22)6-8-18-16(23)13-7-9-25-11-13/h3-5,7,9-11H,6,8H2,1-2H3,(H,18,23)(H,19,22)(H,20,24)
InChIKeyRHARAPHEBMFIHX-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.40
Rot. Bonds6

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

N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 27607144) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID27607144
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(C)c1cccc(C(=O)NNC(=O)CCNC(=O)c2ccsc2)c1
InChIInChI=1S/C17H20N4O3S/c1-21(2)14-5-3-4-12(10-14)17(24)20-19-15(22)6-8-18-16(23)13-7-9-25-11-13/h3-5,7,9-11H,6,8H2,1-2H3,(H,18,23)(H,19,22)(H,20,24)
InChIKeyRHARAPHEBMFIHX-UHFFFAOYSA-N
XLogP1.40
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.40
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

N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 30452714
3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide
CID 99981051
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
CID 55102085
3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
CID 30486316
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
3-(dimethylamino)-N'-[3-(3-methoxyphenyl)propanoyl]benzohydrazide
CID 34409132
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 38796379
N-[3-(2-benzyl-2-phenylhydrazinyl)-3-oxopropyl]thiophene-3-carboxamide
CID 39476486

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide (CID 27607144) is N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide is CN(C)c1cccc(C(=O)NNC(=O)CCNC(=O)c2ccsc2)c1.
What is the InChIKey of N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is RHARAPHEBMFIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-21(2)14-5-3-4-12(10-14)17(24)20-19-15(22)6-8-18-16(23)13-7-9-25-11-13/h3-5,7,9-11H,6,8H2,1-2H3,(H,18,23)(H,19,22)(H,20,24).
What are the key properties of N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 27607144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).