propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate

C22H26N2O5S — CID 159717935

IUPACpropan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate
SMILESCC(C)OC(=O)CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1
InChIInChI=1S/C22H26N2O5S/c1-17(2)29-22(25)5-3-4-13-24(16-18-8-11-23-12-9-18)30(26,27)20-6-7-21-19(15-20)10-14-28-21/h6-12,14-15,17H,3-5,13,16H2,1-2H3
InChIKeyPUKOHNLCOHSFOK-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.14
Rot. Bonds10

About propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate

propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate (PubChem CID 159717935) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate
PubChem CID159717935
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Namepropan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate
SMILESCC(C)OC(=O)CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1
InChIInChI=1S/C22H26N2O5S/c1-17(2)29-22(25)5-3-4-13-24(16-18-8-11-23-12-9-18)30(26,27)20-6-7-21-19(15-20)10-14-28-21/h6-12,14-15,17H,3-5,13,16H2,1-2H3
InChIKeyPUKOHNLCOHSFOK-UHFFFAOYSA-N
XLogP4.14
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate 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-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;bis(N-(7,7-dimethyl-5-oxooctyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide);N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate
CID 159717934
3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl 2,2-dimethylpropanoate;N-[3-[1-benzofuran-5-ylsulfonyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 159127966
propan-2-yl 4-pyridin-4-ylbutanoate
CID 159454853
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295
tert-butyl N-[(2S)-4-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-1-hydroxybutan-2-yl]carbamate
CID 59722480
propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate
CID 50894603
3,4-dimethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 42462945
N-(3-aminopropyl)-N-(2-methylpropyl)-4-oxochromene-6-sulfonamide
CID 89093773
propan-2-yl 3-[6-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]propanoate
CID 146834215
(2S)-2-[1-benzofuran-5-ylsulfonyl-[[3-(2-methylpropyl)imidazol-4-yl]methyl]amino]-4-methyl-N,N-bis(2-methylpropyl)pentanamide
CID 58276948
propan-2-yl 2-(pyridin-4-ylmethoxy)acetate
CID 83213799
N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938079

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate?
The IUPAC name of propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate (CID 159717935) is propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate.
What is the SMILES notation for propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate?
The canonical SMILES for propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate is CC(C)OC(=O)CCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.
What is the InChIKey of propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate?
The InChIKey is PUKOHNLCOHSFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-17(2)29-22(25)5-3-4-13-24(16-18-8-11-23-12-9-18)30(26,27)20-6-7-21-19(15-20)10-14-28-21/h6-12,14-15,17H,3-5,13,16H2,1-2H3.
What are the key properties of propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate?
propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate has a molecular weight of 430.53 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate is sourced from PubChem (CID 159717935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).