(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide

C20H32ClN3O3S — CID 8583559

IUPAC(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N2CCCCCCC2)c1
InChIInChI=1S/C20H32ClN3O3S/c1-4-24(5-2)28(26,27)17-11-12-18(21)19(15-17)22-20(25)16(3)23-13-9-7-6-8-10-14-23/h11-12,15-16H,4-10,13-14H2,1-3H3,(H,22,25)/t16-/m0/s1
InChIKeyCSWHKLXVDLIJLH-INIZCTEOSA-N
MW430.01 g/mol
LogP3.96
Rot. Bonds7

About (2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide

(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 8583559) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is (2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
PubChem CID8583559
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N2CCCCCCC2)c1
InChIInChI=1S/C20H32ClN3O3S/c1-4-24(5-2)28(26,27)17-11-12-18(21)19(15-17)22-20(25)16(3)23-13-9-7-6-8-10-14-23/h11-12,15-16H,4-10,13-14H2,1-3H3,(H,22,25)/t16-/m0/s1
InChIKeyCSWHKLXVDLIJLH-INIZCTEOSA-N
XLogP3.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]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

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 112840558
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42996447
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 7858761
(2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
CID 25337361
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 56518150
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874093
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55752758
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 42912049
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 7858760
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30620235
(2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
CID 9460403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide (CID 8583559) is (2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N2CCCCCCC2)c1.
What is the InChIKey of (2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is CSWHKLXVDLIJLH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H32ClN3O3S/c1-4-24(5-2)28(26,27)17-11-12-18(21)19(15-17)22-20(25)16(3)23-13-9-7-6-8-10-14-23/h11-12,15-16H,4-10,13-14H2,1-3H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide?
(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 430.01 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 8583559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).