N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide

C15H11N3O3S2 — CID 3319055

IUPACN-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC(=S)NNC(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C15H11N3O3S2/c19-13(11-8-9-4-1-2-5-10(9)21-11)16-15(22)18-17-14(20)12-6-3-7-23-12/h1-8H,(H,17,20)(H2,16,18,19,22)
InChIKeyUMVPGTPVBPURHN-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.44
Rot. Bonds2

About N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide

N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide (PubChem CID 3319055) has the molecular formula C15H11N3O3S2 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide
PubChem CID3319055
Molecular FormulaC15H11N3O3S2
Molecular Weight345.41 g/mol
Exact Mass345.02
IUPAC NameN-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC(=S)NNC(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C15H11N3O3S2/c19-13(11-8-9-4-1-2-5-10(9)21-11)16-15(22)18-17-14(20)12-6-3-7-23-12/h1-8H,(H,17,20)(H2,16,18,19,22)
InChIKeyUMVPGTPVBPURHN-UHFFFAOYSA-N
XLogP2.44
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1016193
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1232080
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 3718880
2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324993
N-[(2-hydroxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 822277
3-bromo-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324996
1-(1-benzofuran-2-carbonylamino)-3-pentylthiourea
CID 9220418
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(thiophene-2-carbonylamino)urea
CID 42951446
1-(1-benzofuran-2-carbonylamino)-3-(4-bromophenyl)thiourea
CID 11257786
N-(anilinocarbamothioyl)thiophene-2-carboxamide
CID 17100252
(2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate
CID 7194073
4-phenylmethoxy-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3322125

Frequently Asked Questions

What is the IUPAC name of N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide (CID 3319055) is N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide is O=C(NC(=S)NNC(=O)c1cccs1)c1cc2ccccc2o1.
What is the InChIKey of N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide?
The InChIKey is UMVPGTPVBPURHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S2/c19-13(11-8-9-4-1-2-5-10(9)21-11)16-15(22)18-17-14(20)12-6-3-7-23-12/h1-8H,(H,17,20)(H2,16,18,19,22).
What are the key properties of N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide?
N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(thiophene-2-carbonylamino)carbamothioyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3319055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).