N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide

C21H16N4O4S2 — CID 27698677

IUPACN-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc2ccccc2n1
InChIInChI=1S/C21H16N4O4S2/c26-20(23-24-21(27)18-12-11-14-6-1-3-8-16(14)22-18)15-7-2-4-9-17(15)25-31(28,29)19-10-5-13-30-19/h1-13,25H,(H,23,26)(H,24,27)
InChIKeyLRPLWTWIRFRTOE-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.17
Rot. Bonds5

About N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide

N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 27698677) has the molecular formula C21H16N4O4S2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID27698677
Molecular FormulaC21H16N4O4S2
Molecular Weight452.52 g/mol
Exact Mass452.06
IUPAC NameN-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc2ccccc2n1
InChIInChI=1S/C21H16N4O4S2/c26-20(23-24-21(27)18-12-11-14-6-1-3-8-16(14)22-18)15-7-2-4-9-17(15)25-31(28,29)19-10-5-13-30-19/h1-13,25H,(H,23,26)(H,24,27)
InChIKeyLRPLWTWIRFRTOE-UHFFFAOYSA-N
XLogP3.17
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(2-naphthalen-2-yloxyacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698715
N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 43016985
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
N-[2-[[(3-methyl-1,2-oxazole-5-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 31800733
N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 39459100
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[3-[(thiophene-2-carbonylamino)carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
CID 24665030
N-[2-[(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698726
N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 46652903
N-[2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156981
N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26248424
2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 25038247

Frequently Asked Questions

What is the IUPAC name of N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide (CID 27698677) is N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide is O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is LRPLWTWIRFRTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4S2/c26-20(23-24-21(27)18-12-11-14-6-1-3-8-16(14)22-18)15-7-2-4-9-17(15)25-31(28,29)19-10-5-13-30-19/h1-13,25H,(H,23,26)(H,24,27).
What are the key properties of N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 452.52 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 27698677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).