(2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide

C16H22N2O6S — CID 86604866

IUPAC(2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide
SMILESC#CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)NCC(OC)OC
InChIInChI=1S/C16H22N2O6S/c1-5-6-14(16(19)17-11-15(23-3)24-4)18-25(20,21)13-9-7-12(22-2)8-10-13/h1,7-10,14-15,18H,6,11H2,2-4H3,(H,17,19)/t14-/m1/s1
InChIKeyWZSWDRSVTQEKSM-CQSZACIVSA-N
MW370.43 g/mol
LogP0.10
Rot. Bonds10

About (2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide

(2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide (PubChem CID 86604866) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is (2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide.

Molecular Properties

Compound Name(2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide
PubChem CID86604866
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name(2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide
SMILESC#CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)NCC(OC)OC
InChIInChI=1S/C16H22N2O6S/c1-5-6-14(16(19)17-11-15(23-3)24-4)18-25(20,21)13-9-7-12(22-2)8-10-13/h1,7-10,14-15,18H,6,11H2,2-4H3,(H,17,19)/t14-/m1/s1
InChIKeyWZSWDRSVTQEKSM-CQSZACIVSA-N
XLogP0.10
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide 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

methyl 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoate
CID 10524866
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3467487
(2R)-2-[(4-methylphenyl)sulfonylamino]pent-4-ynoic acid
CID 10978432
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pentanamide
CID 24624985
(2S)-N-(cyclohexylmethyl)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724357
(2S)-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724362
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 89120204
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 43002336
methyl 2-[(4-methoxyphenyl)sulfonylamino]-5-sulfanylpentanoate
CID 57142661

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide?
The IUPAC name of (2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide (CID 86604866) is (2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide.
What is the SMILES notation for (2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide?
The canonical SMILES for (2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide is C#CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)NCC(OC)OC.
What is the InChIKey of (2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide?
The InChIKey is WZSWDRSVTQEKSM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-5-6-14(16(19)17-11-15(23-3)24-4)18-25(20,21)13-9-7-12(22-2)8-10-13/h1,7-10,14-15,18H,6,11H2,2-4H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide?
(2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide has a molecular weight of 370.43 g/mol, XLogP of 0.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,2-dimethoxyethyl)-2-[(4-methoxyphenyl)sulfonylamino]pent-4-ynamide is sourced from PubChem (CID 86604866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).