1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea

C21H25FN4O4S — CID 3902670

IUPAC1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C21H25FN4O4S/c22-16-3-5-17(6-4-16)23-21(27)24-19-15-18(7-8-20(19)25-9-1-2-10-25)31(28,29)26-11-13-30-14-12-26/h3-8,15H,1-2,9-14H2,(H2,23,24,27)
InChIKeyYXSMZGYYXVLGBO-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.09
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea

1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea (PubChem CID 3902670) has the molecular formula C21H25FN4O4S and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea
PubChem CID3902670
Molecular FormulaC21H25FN4O4S
Molecular Weight448.52 g/mol
Exact Mass448.16
IUPAC Name1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C21H25FN4O4S/c22-16-3-5-17(6-4-16)23-21(27)24-19-15-18(7-8-20(19)25-9-1-2-10-25)31(28,29)26-11-13-30-14-12-26/h3-8,15H,1-2,9-14H2,(H2,23,24,27)
InChIKeyYXSMZGYYXVLGBO-UHFFFAOYSA-N
XLogP3.09
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)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

N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 135144027
N-(2-morpholinoethyl)-3-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulfonamide
CID 24894562
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)aniline
CID 3585374
1-[2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea
CID 137640310
1-[3-[(2-Fluorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 3499709
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
1-[2-(Diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-phenylurea
CID 5075583
N-(2-morpholinoethyl)-4-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulfonamide
CID 24894561
N-Phenyl-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 45555989
4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 57403243
3-amino-4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 145955557
1,3-dimethyl-5-(4-morpholinylsulfonyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 751864

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea (CID 3902670) is 1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea is O=C(Nc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea?
The InChIKey is YXSMZGYYXVLGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4S/c22-16-3-5-17(6-4-16)23-21(27)24-19-15-18(7-8-20(19)25-9-1-2-10-25)31(28,29)26-11-13-30-14-12-26/h3-8,15H,1-2,9-14H2,(H2,23,24,27).
What are the key properties of 1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea?
1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea has a molecular weight of 448.52 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 3902670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).