1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea

C12H18FN3O3S — CID 113093112

IUPAC1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cc(F)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C12H18FN3O3S/c1-8(2)14-12(17)15-10-7-9(13)5-6-11(10)16(3)20(4,18)19/h5-8H,1-4H3,(H2,14,15,17)
InChIKeyBKRLVWFMMYGRNV-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.75
Rot. Bonds4

About 1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea

1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea (PubChem CID 113093112) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea
PubChem CID113093112
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC Name1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cc(F)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C12H18FN3O3S/c1-8(2)14-12(17)15-10-7-9(13)5-6-11(10)16(3)20(4,18)19/h5-8H,1-4H3,(H2,14,15,17)
InChIKeyBKRLVWFMMYGRNV-UHFFFAOYSA-N
XLogP1.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea 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-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenyl)acetamide
CID 113093104
N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide
CID 113093111
2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 113093094
1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea
CID 116656949
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 28635604
1-[4-fluoro-2-(methylsulfonylmethyl)phenyl]-3-pent-4-yn-2-ylurea
CID 75495168
2-(3-fluorophenyl)-N-[2-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 113093511
N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide
CID 42962648
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-fluorobenzoic acid
CID 82937403
4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 100786469
1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113376862

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea (CID 113093112) is 1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1cc(F)ccc1N(C)S(C)(=O)=O.
What is the InChIKey of 1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea?
The InChIKey is BKRLVWFMMYGRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-8(2)14-12(17)15-10-7-9(13)5-6-11(10)16(3)20(4,18)19/h5-8H,1-4H3,(H2,14,15,17).
What are the key properties of 1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea?
1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea has a molecular weight of 303.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 113093112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).