N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide

C18H19ClN2O6S — CID 6493576

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19ClN2O6S/c1-11(21-28(23,24)17-8-13(19)4-6-15(17)25-2)18(22)20-9-12-3-5-14-16(7-12)27-10-26-14/h3-8,11,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyUCPZXCUMANALPP-UHFFFAOYSA-N
MW426.88 g/mol
LogP2.06
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 6493576) has the molecular formula C18H19ClN2O6S and a molecular weight of 426.88 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide
PubChem CID6493576
Molecular FormulaC18H19ClN2O6S
Molecular Weight426.88 g/mol
Exact Mass426.07
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19ClN2O6S/c1-11(21-28(23,24)17-8-13(19)4-6-15(17)25-2)18(22)20-9-12-3-5-14-16(7-12)27-10-26-14/h3-8,11,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyUCPZXCUMANALPP-UHFFFAOYSA-N
XLogP2.06
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide 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

(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 40932030
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 27658928
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
CID 110601266
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 8008872
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-tert-butyl-2-methoxyanilino)propanamide
CID 45029684
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-5-methylanilino)propanamide
CID 40973919
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 1090676
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methoxybenzoic acid
CID 45413467
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloropropanamide
CID 2435381
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 3613067

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide (CID 6493576) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is UCPZXCUMANALPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6S/c1-11(21-28(23,24)17-8-13(19)4-6-15(17)25-2)18(22)20-9-12-3-5-14-16(7-12)27-10-26-14/h3-8,11,21H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 426.88 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 6493576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).