N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide

C19H17N3O4S — CID 121062754

IUPACN-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H17N3O4S/c23-17(20-9-10-21-18(24)15-3-1-11-26-15)13-5-7-14(8-6-13)22-19(25)16-4-2-12-27-16/h1-8,11-12H,9-10H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyLVXADGKUITUCLM-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.75
Rot. Bonds7

About N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 121062754) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID121062754
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H17N3O4S/c23-17(20-9-10-21-18(24)15-3-1-11-26-15)13-5-7-14(8-6-13)22-19(25)16-4-2-12-27-16/h1-8,11-12H,9-10H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyLVXADGKUITUCLM-UHFFFAOYSA-N
XLogP2.75
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17397396
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide
CID 23856004
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
[3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate
CID 86953657
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9483103
N-[4-[2-(furan-2-carbonylamino)ethylcarbamoyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 121062747
N-[4-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9171913
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
CID 27711279

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide (CID 121062754) is N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide is O=C(NCCNC(=O)c1ccco1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is LVXADGKUITUCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c23-17(20-9-10-21-18(24)15-3-1-11-26-15)13-5-7-14(8-6-13)22-19(25)16-4-2-12-27-16/h1-8,11-12H,9-10H2,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 121062754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).