1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea

C13H20FN3O3S — CID 113069707

IUPAC1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C13H20FN3O3S/c1-10(2)16-13(18)15-8-9-17(21(3,19)20)12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H2,15,16,18)
InChIKeySJKCKOFUYPSWNP-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.30
Rot. Bonds6

About 1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea

1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea (PubChem CID 113069707) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
PubChem CID113069707
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C13H20FN3O3S/c1-10(2)16-13(18)15-8-9-17(21(3,19)20)12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H2,15,16,18)
InChIKeySJKCKOFUYPSWNP-UHFFFAOYSA-N
XLogP1.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-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

1-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113072449
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069700
ethyl 2-[methylsulfonyl-[2-(propan-2-ylcarbamoylamino)ethyl]amino]benzoate
CID 113072144
1-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070206
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069660
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113069709
N-benzyl-4-(2-fluoro-N-methylsulfonylanilino)-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 100646729
1-[2-(4-cyano-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113072346
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113069714
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143427
1-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070637

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea (CID 113069707) is 1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCN(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea?
The InChIKey is SJKCKOFUYPSWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-10(2)16-13(18)15-8-9-17(21(3,19)20)12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea?
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea has a molecular weight of 317.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 113069707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).