1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea

C21H29ClN4O3S — CID 55701839

IUPAC1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)NCC(C)N(C)c2ccccc2)c1
InChIInChI=1S/C21H29ClN4O3S/c1-5-26(6-2)30(28,29)18-12-13-19(22)20(14-18)24-21(27)23-15-16(3)25(4)17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3,(H2,23,24,27)
InChIKeyGTPKQJVMGHXEQD-UHFFFAOYSA-N
MW453.01 g/mol
LogP4.02
Rot. Bonds9

About 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea

1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea (PubChem CID 55701839) has the molecular formula C21H29ClN4O3S and a molecular weight of 453.01 g/mol. Its IUPAC name is 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea.

Molecular Properties

Compound Name1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea
PubChem CID55701839
Molecular FormulaC21H29ClN4O3S
Molecular Weight453.01 g/mol
Exact Mass452.16
IUPAC Name1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)NCC(C)N(C)c2ccccc2)c1
InChIInChI=1S/C21H29ClN4O3S/c1-5-26(6-2)30(28,29)18-12-13-19(22)20(14-18)24-21(27)23-15-16(3)25(4)17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3,(H2,23,24,27)
InChIKeyGTPKQJVMGHXEQD-UHFFFAOYSA-N
XLogP4.02
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.01
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea 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

2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 8901118
(2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
CID 25337361
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 55696278
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915
(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
CID 8583559
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide
CID 51170623
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874093
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 112840558
ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
CID 3647141
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 56519934
[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 4148507
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea?
The IUPAC name of 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea (CID 55701839) is 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea.
What is the SMILES notation for 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea?
The canonical SMILES for 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)NCC(C)N(C)c2ccccc2)c1.
What is the InChIKey of 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea?
The InChIKey is GTPKQJVMGHXEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O3S/c1-5-26(6-2)30(28,29)18-12-13-19(22)20(14-18)24-21(27)23-15-16(3)25(4)17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3,(H2,23,24,27).
What are the key properties of 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea?
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea has a molecular weight of 453.01 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea is sourced from PubChem (CID 55701839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).