N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C19H18N4O5S2 — CID 24979560

IUPACN-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H18N4O5S2/c1-2-28-19-15(5-3-11-20-19)18(25)22-21-17(24)13-7-9-14(10-8-13)23-30(26,27)16-6-4-12-29-16/h3-12,23H,2H2,1H3,(H,21,24)(H,22,25)
InChIKeyQYTFHLXNYCVHNJ-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.42
Rot. Bonds7

About N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 24979560) has the molecular formula C19H18N4O5S2 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID24979560
Molecular FormulaC19H18N4O5S2
Molecular Weight446.51 g/mol
Exact Mass446.07
IUPAC NameN-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H18N4O5S2/c1-2-28-19-15(5-3-11-20-19)18(25)22-21-17(24)13-7-9-14(10-8-13)23-30(26,27)16-6-4-12-29-16/h3-12,23H,2H2,1H3,(H,21,24)(H,22,25)
InChIKeyQYTFHLXNYCVHNJ-UHFFFAOYSA-N
XLogP2.42
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 24979560) is N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is CCOc1ncccc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is QYTFHLXNYCVHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S2/c1-2-28-19-15(5-3-11-20-19)18(25)22-21-17(24)13-7-9-14(10-8-13)23-30(26,27)16-6-4-12-29-16/h3-12,23H,2H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 446.51 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-ethoxypyridine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 24979560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).