2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide

C23H24FN5O4S — CID 10277810

IUPAC2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)Cn2c(C)ccc(NS(=O)(=O)Cc3ccccc3)c2=O)cc1F
InChIInChI=1S/C23H24FN5O4S/c1-15-7-10-20(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)27-12-17-8-9-18(22(25)26)19(24)11-17/h2-11,28H,12-14H2,1H3,(H3,25,26)(H,27,30)
InChIKeyMUCFNOZSTPFMCD-UHFFFAOYSA-N
MW485.54 g/mol
LogP1.84
Rot. Bonds9

About 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide

2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide (PubChem CID 10277810) has the molecular formula C23H24FN5O4S and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide
PubChem CID10277810
Molecular FormulaC23H24FN5O4S
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC Name2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)Cn2c(C)ccc(NS(=O)(=O)Cc3ccccc3)c2=O)cc1F
InChIInChI=1S/C23H24FN5O4S/c1-15-7-10-20(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)27-12-17-8-9-18(22(25)26)19(24)11-17/h2-11,28H,12-14H2,1H3,(H3,25,26)(H,27,30)
InChIKeyMUCFNOZSTPFMCD-UHFFFAOYSA-N
XLogP1.84
TPSA147.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(Benzylsulfonyl)-D-Leucyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide
CID 56673692
N-(Benzylsulfonyl)-D-Phenylalanyl-N-(4-Carbamimidoylbenzyl)glycinamide
CID 58834156
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2S)-2-[(4-carbamimidoylphenyl)methylsulfonylamino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide
CID 71722448
N-(4-Carbamimidoyl-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 9825841
N-(Benzylsulfonyl)-D-Valyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide
CID 56673691
N-(Benzylsulfonyl)glycyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide
CID 56947156
N-(Benzylsulfonyl)-D-Alanyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide
CID 56947157
2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-[2-methyl-1-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-propyl]-acetamide
CID 44267097
BnSO2-D-Lys-Pro-NHBn(4-amidino)
CID 49835415
N-(4-fluorobenzyl)-2-methyl-5-(4-methylphenyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253512
2-[5-Cyclohexanesulfonylamino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 44267176
N-Benzyl-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44344067

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide (CID 10277810) is 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide is [H]/N=C(\N)c1ccc(CNC(=O)Cn2c(C)ccc(NS(=O)(=O)Cc3ccccc3)c2=O)cc1F.
What is the InChIKey of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide?
The InChIKey is MUCFNOZSTPFMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4S/c1-15-7-10-20(28-34(32,33)14-16-5-3-2-4-6-16)23(31)29(15)13-21(30)27-12-17-8-9-18(22(25)26)19(24)11-17/h2-11,28H,12-14H2,1H3,(H3,25,26)(H,27,30).
What are the key properties of 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide?
2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide has a molecular weight of 485.54 g/mol, XLogP of 1.84, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]-N-[(4-carbamimidoyl-3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 10277810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).