N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide

C20H33ClN4O3S — CID 112840558

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)N2CCC(N(C)C)CC2)c1
InChIInChI=1S/C20H33ClN4O3S/c1-6-25(7-2)29(27,28)17-8-9-18(21)19(14-17)22-20(26)15(3)24-12-10-16(11-13-24)23(4)5/h8-9,14-16H,6-7,10-13H2,1-5H3,(H,22,26)
InChIKeyISLOCMRMFGLSFP-UHFFFAOYSA-N
MW445.03 g/mol
LogP2.72
Rot. Bonds8

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide (PubChem CID 112840558) has the molecular formula C20H33ClN4O3S and a molecular weight of 445.03 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide
PubChem CID112840558
Molecular FormulaC20H33ClN4O3S
Molecular Weight445.03 g/mol
Exact Mass444.20
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)N2CCC(N(C)C)CC2)c1
InChIInChI=1S/C20H33ClN4O3S/c1-6-25(7-2)29(27,28)17-8-9-18(21)19(14-17)22-20(26)15(3)24-12-10-16(11-13-24)23(4)5/h8-9,14-16H,6-7,10-13H2,1-5H3,(H,22,26)
InChIKeyISLOCMRMFGLSFP-UHFFFAOYSA-N
XLogP2.72
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.03
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
CID 8583559
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42996447
(2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
CID 25337361
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874093
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 56518150
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55752758
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 7858761
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 56519934
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea
CID 55701839
(2S)-N-(2-chloro-5-nitrophenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]propanamide
CID 41331845

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide (CID 112840558) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)N2CCC(N(C)C)CC2)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide?
The InChIKey is ISLOCMRMFGLSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33ClN4O3S/c1-6-25(7-2)29(27,28)17-8-9-18(21)19(14-17)22-20(26)15(3)24-12-10-16(11-13-24)23(4)5/h8-9,14-16H,6-7,10-13H2,1-5H3,(H,22,26).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide has a molecular weight of 445.03 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide is sourced from PubChem (CID 112840558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).