propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate

C21H24N4O7S — CID 67712587

IUPACpropan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
SMILESCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCC(=O)OC(C)C)nc2)cc1
InChIInChI=1S/C21H24N4O7S/c1-4-22-19(27)14-5-8-16(9-6-14)33(30,31)25-20(28)15-7-10-17(23-11-15)21(29)24-12-18(26)32-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,27)(H,24,29)(H,25,28)
InChIKeyJQZWYSRGHPEBSH-UHFFFAOYSA-N
MW476.51 g/mol
LogP0.63
Rot. Bonds9

About propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate

propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate (PubChem CID 67712587) has the molecular formula C21H24N4O7S and a molecular weight of 476.51 g/mol. Its IUPAC name is propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
PubChem CID67712587
Molecular FormulaC21H24N4O7S
Molecular Weight476.51 g/mol
Exact Mass476.14
IUPAC Namepropan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
SMILESCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCC(=O)OC(C)C)nc2)cc1
InChIInChI=1S/C21H24N4O7S/c1-4-22-19(27)14-5-8-16(9-6-14)33(30,31)25-20(28)15-7-10-17(23-11-15)21(29)24-12-18(26)32-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,27)(H,24,29)(H,25,28)
InChIKeyJQZWYSRGHPEBSH-UHFFFAOYSA-N
XLogP0.63
TPSA160.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate 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

propan-2-yl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782879
propan-2-yl 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 67712719
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
ethyl 2-[[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970664
benzyl 2-[[5-[[4-(2-ethoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970466
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70213172
propan-2-yl 5-[[4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54411061
ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928116
2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970509
methyl 2-[[5-(butylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate
CID 19970558
propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
CID 56543920

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate (CID 67712587) is propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate is CCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCC(=O)OC(C)C)nc2)cc1.
What is the InChIKey of propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate?
The InChIKey is JQZWYSRGHPEBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O7S/c1-4-22-19(27)14-5-8-16(9-6-14)33(30,31)25-20(28)15-7-10-17(23-11-15)21(29)24-12-18(26)32-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,27)(H,24,29)(H,25,28).
What are the key properties of propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate?
propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate has a molecular weight of 476.51 g/mol, XLogP of 0.63, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 67712587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).