2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide

C20H25FN4O5S — CID 24634494

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H25FN4O5S/c1-3-4-16(25-20(27)23-12-13-5-7-14(21)8-6-13)19(26)24-15-9-10-17(30-2)18(11-15)31(22,28)29/h5-11,16H,3-4,12H2,1-2H3,(H,24,26)(H2,22,28,29)(H2,23,25,27)
InChIKeyXKSMSHUOMXIIKJ-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.09
Rot. Bonds9

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide (PubChem CID 24634494) has the molecular formula C20H25FN4O5S and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide
PubChem CID24634494
Molecular FormulaC20H25FN4O5S
Molecular Weight452.51 g/mol
Exact Mass452.15
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H25FN4O5S/c1-3-4-16(25-20(27)23-12-13-5-7-14(21)8-6-13)19(26)24-15-9-10-17(30-2)18(11-15)31(22,28)29/h5-11,16H,3-4,12H2,1-2H3,(H,24,26)(H2,22,28,29)(H2,23,25,27)
InChIKeyXKSMSHUOMXIIKJ-UHFFFAOYSA-N
XLogP2.09
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
methyl 2-chloro-5-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]benzoate
CID 55556722
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
CID 24605807
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24606174
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide
CID 46555458
N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 55541822
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide
CID 71943301
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 41181659
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 55679433
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
CID 51323356

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide (CID 24634494) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide?
The InChIKey is XKSMSHUOMXIIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O5S/c1-3-4-16(25-20(27)23-12-13-5-7-14(21)8-6-13)19(26)24-15-9-10-17(30-2)18(11-15)31(22,28)29/h5-11,16H,3-4,12H2,1-2H3,(H,24,26)(H2,22,28,29)(H2,23,25,27).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide has a molecular weight of 452.51 g/mol, XLogP of 2.09, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide is sourced from PubChem (CID 24634494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).