N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C23H17N3O4S — CID 55831993

IUPACN-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H17N3O4S/c27-21(15-5-1-6-16(13-15)25-22(28)19-9-3-11-30-19)24-17-7-2-8-18(14-17)26-23(29)20-10-4-12-31-20/h1-14H,(H,24,27)(H,25,28)(H,26,29)
InChIKeyLBSIQKQUNOBBJI-UHFFFAOYSA-N
MW431.47 g/mol
LogP5.10
Rot. Bonds6

About N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide

N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55831993) has the molecular formula C23H17N3O4S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55831993
Molecular FormulaC23H17N3O4S
Molecular Weight431.47 g/mol
Exact Mass431.09
IUPAC NameN-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H17N3O4S/c27-21(15-5-1-6-16(13-15)25-22(28)19-9-3-11-30-19)24-17-7-2-8-18(14-17)26-23(29)20-10-4-12-31-20/h1-14H,(H,24,27)(H,25,28)(H,26,29)
InChIKeyLBSIQKQUNOBBJI-UHFFFAOYSA-N
XLogP5.10
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.47
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
[3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate
CID 86953657
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[3-[(3-ethenylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 891471
N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17361346
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9453653
1-oxido-N-[3-(thiophene-2-carbonylamino)phenyl]pyridin-1-ium-3-carboxamide
CID 31518553
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1232080

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 55831993) is N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is LBSIQKQUNOBBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4S/c27-21(15-5-1-6-16(13-15)25-22(28)19-9-3-11-30-19)24-17-7-2-8-18(14-17)26-23(29)20-10-4-12-31-20/h1-14H,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 5.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55831993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).