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

C17H18N4O3S — CID 51300241

IUPACN-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C17H18N4O3S/c1-11(19-16(23)14-3-2-10-25-14)15(22)20-12-4-6-13(7-5-12)21-9-8-18-17(21)24/h2-7,10-11H,8-9H2,1H3,(H,18,24)(H,19,23)(H,20,22)
InChIKeyPBGTWRIUIQQIGB-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.03
Rot. Bonds5

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

N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 51300241) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide
PubChem CID51300241
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C17H18N4O3S/c1-11(19-16(23)14-3-2-10-25-14)15(22)20-12-4-6-13(7-5-12)21-9-8-18-17(21)24/h2-7,10-11H,8-9H2,1H3,(H,18,24)(H,19,23)(H,20,22)
InChIKeyPBGTWRIUIQQIGB-UHFFFAOYSA-N
XLogP2.03
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 60707218
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276066
N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide
CID 8748790
(2S)-2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119276073
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 61178236
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714
N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 47135814
N-[(2S)-1-(3-imidazol-1-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94814113
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide (CID 51300241) is N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is PBGTWRIUIQQIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11(19-16(23)14-3-2-10-25-14)15(22)20-12-4-6-13(7-5-12)21-9-8-18-17(21)24/h2-7,10-11H,8-9H2,1H3,(H,18,24)(H,19,23)(H,20,22).
What are the key properties of N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[4-(2-oxoimidazolidin-1-yl)anilino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51300241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).