1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea

C16H23N5O3S — CID 51124441

IUPAC1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
SMILESCC(CNC(=O)NCc1ccccc1NS(C)(=O)=O)Cn1cccn1
InChIInChI=1S/C16H23N5O3S/c1-13(12-21-9-5-8-19-21)10-17-16(22)18-11-14-6-3-4-7-15(14)20-25(2,23)24/h3-9,13,20H,10-12H2,1-2H3,(H2,17,18,22)
InChIKeyYBCSCKKVZNQPAE-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.39
Rot. Bonds8

About 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea

1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea (PubChem CID 51124441) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
PubChem CID51124441
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
SMILESCC(CNC(=O)NCc1ccccc1NS(C)(=O)=O)Cn1cccn1
InChIInChI=1S/C16H23N5O3S/c1-13(12-21-9-5-8-19-21)10-17-16(22)18-11-14-6-3-4-7-15(14)20-25(2,23)24/h3-9,13,20H,10-12H2,1-2H3,(H2,17,18,22)
InChIKeyYBCSCKKVZNQPAE-UHFFFAOYSA-N
XLogP1.39
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2-methyl-3-pyrazol-1-ylpropyl)-3-[[3-(phenoxymethyl)phenyl]methyl]urea
CID 86826170
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[[2-(methanesulfonamido)phenyl]methyl]urea
CID 166225600
1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea
CID 95598107
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111217893
1-[[2-(methanesulfonamido)phenyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 75364847
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CID 24684926
methyl 3-(dimethylamino)-4-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoylamino]benzoate
CID 102562954
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379799
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea (CID 51124441) is 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea is CC(CNC(=O)NCc1ccccc1NS(C)(=O)=O)Cn1cccn1.
What is the InChIKey of 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The InChIKey is YBCSCKKVZNQPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-13(12-21-9-5-8-19-21)10-17-16(22)18-11-14-6-3-4-7-15(14)20-25(2,23)24/h3-9,13,20H,10-12H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea has a molecular weight of 365.46 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 51124441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).