1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea

C22H33N5O4S2 — CID 18344757

IUPAC1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
SMILESCCOc1ccc(NC(=O)N(CC2CCCN2CC)c2nc(C)c(S(=O)(=O)N(C)C)s2)cc1
InChIInChI=1S/C22H33N5O4S2/c1-6-26-14-8-9-18(26)15-27(21(28)24-17-10-12-19(13-11-17)31-7-2)22-23-16(3)20(32-22)33(29,30)25(4)5/h10-13,18H,6-9,14-15H2,1-5H3,(H,24,28)
InChIKeyWULVPCRJBRGPLZ-UHFFFAOYSA-N
MW495.67 g/mol
LogP3.62
Rot. Bonds9

About 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea

1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea (PubChem CID 18344757) has the molecular formula C22H33N5O4S2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
PubChem CID18344757
Molecular FormulaC22H33N5O4S2
Molecular Weight495.67 g/mol
Exact Mass495.20
IUPAC Name1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
SMILESCCOc1ccc(NC(=O)N(CC2CCCN2CC)c2nc(C)c(S(=O)(=O)N(C)C)s2)cc1
InChIInChI=1S/C22H33N5O4S2/c1-6-26-14-8-9-18(26)15-27(21(28)24-17-10-12-19(13-11-17)31-7-2)22-23-16(3)20(32-22)33(29,30)25(4)5/h10-13,18H,6-9,14-15H2,1-5H3,(H,24,28)
InChIKeyWULVPCRJBRGPLZ-UHFFFAOYSA-N
XLogP3.62
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]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

1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 18344657
3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
CID 18344825
3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
CID 18344804
N'-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
CID 3156748
N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 7255910
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 79318720
3-(4-chlorophenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 25452235
1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea
CID 142015971
1-[2-(dimethylamino)ethyl]-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 18344654
1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
CID 94802947
1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea
CID 5001476
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119648772

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea?
The IUPAC name of 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea (CID 18344757) is 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea is CCOc1ccc(NC(=O)N(CC2CCCN2CC)c2nc(C)c(S(=O)(=O)N(C)C)s2)cc1.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea?
The InChIKey is WULVPCRJBRGPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O4S2/c1-6-26-14-8-9-18(26)15-27(21(28)24-17-10-12-19(13-11-17)31-7-2)22-23-16(3)20(32-22)33(29,30)25(4)5/h10-13,18H,6-9,14-15H2,1-5H3,(H,24,28).
What are the key properties of 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea?
1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea has a molecular weight of 495.67 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea is sourced from PubChem (CID 18344757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).