N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C17H12ClN3O4S — CID 51330523

IUPACN-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)NNC(=O)c2ccccc2Cl)s1)c1ccco1
InChIInChI=1S/C17H12ClN3O4S/c18-11-5-2-1-4-10(11)15(22)20-21-17(24)13-7-8-14(26-13)19-16(23)12-6-3-9-25-12/h1-9H,(H,19,23)(H,20,22)(H,21,24)
InChIKeyJPLTVPUQDODSEU-UHFFFAOYSA-N
MW389.82 g/mol
LogP3.32
Rot. Bonds4

About N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 51330523) has the molecular formula C17H12ClN3O4S and a molecular weight of 389.82 g/mol. Its IUPAC name is N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID51330523
Molecular FormulaC17H12ClN3O4S
Molecular Weight389.82 g/mol
Exact Mass389.02
IUPAC NameN-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)NNC(=O)c2ccccc2Cl)s1)c1ccco1
InChIInChI=1S/C17H12ClN3O4S/c18-11-5-2-1-4-10(11)15(22)20-21-17(24)13-7-8-14(26-13)19-16(23)12-6-3-9-25-12/h1-9H,(H,19,23)(H,20,22)(H,21,24)
InChIKeyJPLTVPUQDODSEU-UHFFFAOYSA-N
XLogP3.32
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[2-(methylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 34756176
N-[5-[1-(2-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330570
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 134024119
N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 134024197
N-[5-[(4-chloro-2-fluorophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31302478
N-[5-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46420472
N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148221
N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330571
N-[5-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330714
N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide
CID 9086877

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 51330523) is N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)NNC(=O)c2ccccc2Cl)s1)c1ccco1.
What is the InChIKey of N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is JPLTVPUQDODSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4S/c18-11-5-2-1-4-10(11)15(22)20-21-17(24)13-7-8-14(26-13)19-16(23)12-6-3-9-25-12/h1-9H,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 389.82 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51330523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).