N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide

C18H20N4O3S — CID 55719816

IUPACN-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H20N4O3S/c23-16(7-2-8-19-17(24)15-6-3-11-26-15)21-13-4-1-5-14(12-13)22-10-9-20-18(22)25/h1,3-6,11-12H,2,7-10H2,(H,19,24)(H,20,25)(H,21,23)
InChIKeyQYXNJDHCNDAAEJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.43
Rot. Bonds7

About N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide

N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide (PubChem CID 55719816) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide
PubChem CID55719816
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide
SMILESO=C(CCCNC(=O)c1cccs1)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H20N4O3S/c23-16(7-2-8-19-17(24)15-6-3-11-26-15)21-13-4-1-5-14(12-13)22-10-9-20-18(22)25/h1,3-6,11-12H,2,7-10H2,(H,19,24)(H,20,25)(H,21,23)
InChIKeyQYXNJDHCNDAAEJ-UHFFFAOYSA-N
XLogP2.43
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]butyl]thiophene-2-carboxamide
CID 55610306
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide
CID 55717079
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 47036521
N-[4-(3-ethynylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 51337792
N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 26110881
4-(4-chlorophenyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55779261
4-(5-methylthiophen-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 71861057
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55716802
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497876
N-[4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butyl]thiophene-2-carboxamide
CID 62047445

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide (CID 55719816) is N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide is O=C(CCCNC(=O)c1cccs1)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide?
The InChIKey is QYXNJDHCNDAAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-16(7-2-8-19-17(24)15-6-3-11-26-15)21-13-4-1-5-14(12-13)22-10-9-20-18(22)25/h1,3-6,11-12H,2,7-10H2,(H,19,24)(H,20,25)(H,21,23).
What are the key properties of N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide?
N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]thiophene-2-carboxamide is sourced from PubChem (CID 55719816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).