1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea

C19H19F3N4O5S — CID 140776267

IUPAC1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESCOc1cc(F)c([C@@H]2CN(NS(C)(=O)=O)C(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C19H19F3N4O5S/c1-31-12-7-14(21)16(15(22)8-12)13-9-26(25-32(2,29)30)18(27)17(13)24-19(28)23-11-5-3-10(20)4-6-11/h3-8,13,17,25H,9H2,1-2H3,(H2,23,24,28)/t13-,17-/m0/s1
InChIKeyHWRFDJOHCBSWPR-GUYCJALGSA-N
MW472.45 g/mol
LogP1.69
Rot. Bonds6

About 1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea

1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea (PubChem CID 140776267) has the molecular formula C19H19F3N4O5S and a molecular weight of 472.45 g/mol. Its IUPAC name is 1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
PubChem CID140776267
Molecular FormulaC19H19F3N4O5S
Molecular Weight472.45 g/mol
Exact Mass472.10
IUPAC Name1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
SMILESCOc1cc(F)c([C@@H]2CN(NS(C)(=O)=O)C(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C19H19F3N4O5S/c1-31-12-7-14(21)16(15(22)8-12)13-9-26(25-32(2,29)30)18(27)17(13)24-19(28)23-11-5-3-10(20)4-6-11/h3-8,13,17,25H,9H2,1-2H3,(H2,23,24,28)/t13-,17-/m0/s1
InChIKeyHWRFDJOHCBSWPR-GUYCJALGSA-N
XLogP1.69
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.45
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)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-[(3R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 126669211
1-[(4S)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 118132943
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 122582962
1-[(3R,4S)-5-anilino-3-(2,6-difluoro-4-methoxyphenyl)-3,4-dihydro-2H-pyrrol-4-yl]-3-(4-fluorophenyl)urea
CID 122583122
4-[[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]benzoic acid
CID 122583028
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 122583171
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122583094
1-(6-chloro-3-pyridinyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]urea
CID 122583015
1-[(6R,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2,6-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl]-3-(4-fluorophenyl)urea
CID 142352437
1-(6-chloro-3-pyridinyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 122583030
1-[(3S,4R)-4-(4-ethoxy-2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 122582973
1-(4-chlorophenyl)-3-[(3S,4S)-4-(2,6-difluoro-4-methoxyphenyl)piperidin-3-yl]urea
CID 134347569

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea (CID 140776267) is 1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea is COc1cc(F)c([C@@H]2CN(NS(C)(=O)=O)C(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
The InChIKey is HWRFDJOHCBSWPR-GUYCJALGSA-N. The full InChI is InChI=1S/C19H19F3N4O5S/c1-31-12-7-14(21)16(15(22)8-12)13-9-26(25-32(2,29)30)18(27)17(13)24-19(28)23-11-5-3-10(20)4-6-11/h3-8,13,17,25H,9H2,1-2H3,(H2,23,24,28)/t13-,17-/m0/s1.
What are the key properties of 1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea?
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea has a molecular weight of 472.45 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(methanesulfonamido)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 140776267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).