N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide

C23H25N5O6S — CID 10185327

IUPACN-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)Cn2cccc(NS(=O)(=O)c3cccc(OC)c3)c2=O)c(OC)c1
InChIInChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)
InChIKeyKLBBHAHSBBTWTB-UHFFFAOYSA-N
MW499.55 g/mol
LogP1.27
Rot. Bonds10

About N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide

N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (PubChem CID 10185327) has the molecular formula C23H25N5O6S and a molecular weight of 499.55 g/mol. Its IUPAC name is N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
PubChem CID10185327
Molecular FormulaC23H25N5O6S
Molecular Weight499.55 g/mol
Exact Mass499.15
IUPAC NameN-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)Cn2cccc(NS(=O)(=O)c3cccc(OC)c3)c2=O)c(OC)c1
InChIInChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29)
InChIKeyKLBBHAHSBBTWTB-UHFFFAOYSA-N
XLogP1.27
TPSA165.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-[(4-carbamimidoyl-2-fluorophenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 10163266
3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide
CID 71454986
N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(cyclopropylamino)acetamide
CID 67676557
N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 22943369
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46673539
3-[(4-methoxyphenyl)methylsulfamoyl]benzenecarboximidamide;hydrochloride
CID 71456775
N-[(3,4-dichlorophenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 127029044
4-[2-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-2-sulfanylethyl]benzenecarboximidamide
CID 57236719
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2-methoxyphenyl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 4171042
methyl N-[(7-carbamimidoylnaphthalen-1-yl)methyl]carbamate
CID 74763858
4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483506

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (CID 10185327) is N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is [H]/N=C(\N)c1ccc(CNC(=O)Cn2cccc(NS(=O)(=O)c3cccc(OC)c3)c2=O)c(OC)c1.
What is the InChIKey of N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is KLBBHAHSBBTWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O6S/c1-33-17-5-3-6-18(12-17)35(31,32)27-19-7-4-10-28(23(19)30)14-21(29)26-13-16-9-8-15(22(24)25)11-20(16)34-2/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29).
What are the key properties of N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 499.55 g/mol, XLogP of 1.27, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-[3-[(3-methoxyphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 10185327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).