N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C23H18N4O3S — CID 46490718

IUPACN-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C23H18N4O3S/c28-21(26-27-22(29)19-12-11-16-4-1-2-5-18(16)25-19)17-9-7-15(8-10-17)14-24-23(30)20-6-3-13-31-20/h1-13H,14H2,(H,24,30)(H,26,28)(H,27,29)
InChIKeyAIZZVEDMQRDBBN-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.30
Rot. Bonds5

About N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 46490718) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID46490718
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC NameN-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C23H18N4O3S/c28-21(26-27-22(29)19-12-11-16-4-1-2-5-18(16)25-19)17-9-7-15(8-10-17)14-24-23(30)20-6-3-13-31-20/h1-13H,14H2,(H,24,30)(H,26,28)(H,27,29)
InChIKeyAIZZVEDMQRDBBN-UHFFFAOYSA-N
XLogP3.30
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.30
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-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-benzylthiophene-2-carboxamide
CID 574227
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
N'-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]quinoline-2-carbohydrazide
CID 35069128
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 87043723
N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N'-(5-bromothiophene-2-carbonyl)quinoline-2-carbohydrazide
CID 4787478

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 46490718) is N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is AIZZVEDMQRDBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c28-21(26-27-22(29)19-12-11-16-4-1-2-5-18(16)25-19)17-9-7-15(8-10-17)14-24-23(30)20-6-3-13-31-20/h1-13H,14H2,(H,24,30)(H,26,28)(H,27,29).
What are the key properties of N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(quinoline-2-carbonylamino)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46490718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).