N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide

C23H19FN4O5S — CID 176885216

IUPACN-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide
SMILESC#CC(=O)NCc1ccnc(-c2cc(OC)cc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)c1
InChIInChI=1S/C23H19FN4O5S/c1-3-22(29)26-14-15-8-9-25-20(10-15)16-11-17(13-18(12-16)33-2)23(30)27-28-34(31,32)21-7-5-4-6-19(21)24/h1,4-13,28H,14H2,2H3,(H,26,29)(H,27,30)
InChIKeyGDWDJCYDTYNACW-UHFFFAOYSA-N
MW482.49 g/mol
LogP1.77
Rot. Bonds8

About N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide

N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide (PubChem CID 176885216) has the molecular formula C23H19FN4O5S and a molecular weight of 482.49 g/mol. Its IUPAC name is N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide
PubChem CID176885216
Molecular FormulaC23H19FN4O5S
Molecular Weight482.49 g/mol
Exact Mass482.11
IUPAC NameN-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide
SMILESC#CC(=O)NCc1ccnc(-c2cc(OC)cc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)c1
InChIInChI=1S/C23H19FN4O5S/c1-3-22(29)26-14-15-8-9-25-20(10-15)16-11-17(13-18(12-16)33-2)23(30)27-28-34(31,32)21-7-5-4-6-19(21)24/h1,4-13,28H,14H2,2H3,(H,26,29)(H,27,30)
InChIKeyGDWDJCYDTYNACW-UHFFFAOYSA-N
XLogP1.77
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-enamide
CID 176885204
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide
CID 135298631
N-[[2-[3-[[(2,6-dimethoxyphenyl)sulfonylamino]carbamoyl]-5-methylphenyl]-4-pyridinyl]methyl]prop-2-ynamide
CID 169079202
N-[[2-[3-[[(2,6-dimethoxyphenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-enamide
CID 176885220
N-[[2-[3-[[(2-fluorophenyl)sulfanylamino]carbamoyl]-5-methylphenyl]-4-pyridinyl]methyl]prop-2-ynamide
CID 169217727
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyridin-2-ylbenzohydrazide
CID 133080719
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
CID 135298667
tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate
CID 176885210
3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298630
2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 91630514
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155532167

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide?
The IUPAC name of N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide (CID 176885216) is N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide.
What is the SMILES notation for N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide?
The canonical SMILES for N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide is C#CC(=O)NCc1ccnc(-c2cc(OC)cc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)c1.
What is the InChIKey of N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide?
The InChIKey is GDWDJCYDTYNACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O5S/c1-3-22(29)26-14-15-8-9-25-20(10-15)16-11-17(13-18(12-16)33-2)23(30)27-28-34(31,32)21-7-5-4-6-19(21)24/h1,4-13,28H,14H2,2H3,(H,26,29)(H,27,30).
What are the key properties of N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide?
N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide has a molecular weight of 482.49 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide is sourced from PubChem (CID 176885216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).