1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea

C15H25N3O3S — CID 47072879

IUPAC1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea
SMILESCCC(NC(=O)NCc1ccccc1NS(C)(=O)=O)C(C)C
InChIInChI=1S/C15H25N3O3S/c1-5-13(11(2)3)17-15(19)16-10-12-8-6-7-9-14(12)18-22(4,20)21/h6-9,11,13,18H,5,10H2,1-4H3,(H2,16,17,19)
InChIKeyUBKTZMAZHMGIBJ-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.29
Rot. Bonds7

About 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea

1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea (PubChem CID 47072879) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea
PubChem CID47072879
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea
SMILESCCC(NC(=O)NCc1ccccc1NS(C)(=O)=O)C(C)C
InChIInChI=1S/C15H25N3O3S/c1-5-13(11(2)3)17-15(19)16-10-12-8-6-7-9-14(12)18-22(4,20)21/h6-9,11,13,18H,5,10H2,1-4H3,(H2,16,17,19)
InChIKeyUBKTZMAZHMGIBJ-UHFFFAOYSA-N
XLogP2.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(methanesulfonamido)phenyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001180
1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 51124441
1-[[2-(methanesulfonamido)phenyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 75364847
4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46476539
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[[2-(methanesulfonamido)phenyl]methyl]urea
CID 166225600
N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55723714
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403
1-benzyl-3-[[2-(methanesulfonamido)phenyl]methyl]-2-methylguanidine
CID 110953016
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
1-[(2-chlorophenyl)methyl]-3-[[2-(methanesulfonamido)phenyl]methyl]-2-methylguanidine
CID 111175069
2-ethoxy-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476558
N-[2-(bromomethyl)phenyl]methanesulfonamide
CID 114296091

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea?
The IUPAC name of 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea (CID 47072879) is 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea.
What is the SMILES notation for 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea?
The canonical SMILES for 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea is CCC(NC(=O)NCc1ccccc1NS(C)(=O)=O)C(C)C.
What is the InChIKey of 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea?
The InChIKey is UBKTZMAZHMGIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-5-13(11(2)3)17-15(19)16-10-12-8-6-7-9-14(12)18-22(4,20)21/h6-9,11,13,18H,5,10H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea?
1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea has a molecular weight of 327.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methylpentan-3-yl)urea is sourced from PubChem (CID 47072879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).