N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide

C10H11N3O3S — CID 110722106

IUPACN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide
SMILESO=C1NC(=O)C(CCNC(=O)c2cccs2)N1
InChIInChI=1S/C10H11N3O3S/c14-8-6(12-10(16)13-8)3-4-11-9(15)7-2-1-5-17-7/h1-2,5-6H,3-4H2,(H,11,15)(H2,12,13,14,16)
InChIKeyNCGQBHNVHPNLBA-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.08
Rot. Bonds4

About N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide

N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 110722106) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID110722106
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC NameN-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide
SMILESO=C1NC(=O)C(CCNC(=O)c2cccs2)N1
InChIInChI=1S/C10H11N3O3S/c14-8-6(12-10(16)13-8)3-4-11-9(15)7-2-1-5-17-7/h1-2,5-6H,3-4H2,(H,11,15)(H2,12,13,14,16)
InChIKeyNCGQBHNVHPNLBA-UHFFFAOYSA-N
XLogP0.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-methoxybenzamide
CID 110722120
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide
CID 97128970
N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide
CID 82354226
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide (CID 110722106) is N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide is O=C1NC(=O)C(CCNC(=O)c2cccs2)N1.
What is the InChIKey of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is NCGQBHNVHPNLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c14-8-6(12-10(16)13-8)3-4-11-9(15)7-2-1-5-17-7/h1-2,5-6H,3-4H2,(H,11,15)(H2,12,13,14,16).
What are the key properties of N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide?
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 110722106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).