1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea

C19H23N3O3S — CID 17460566

IUPAC1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)NC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)22-17-9-5-6-14(12-17)13-20-19(23)21-18(16-10-11-16)15-7-3-2-4-8-15/h2-9,12,16,18,22H,10-11,13H2,1H3,(H2,20,21,23)
InChIKeyPRPUZEHARBFTME-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.01
Rot. Bonds7

About 1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea

1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea (PubChem CID 17460566) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
PubChem CID17460566
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)NC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)22-17-9-5-6-14(12-17)13-20-19(23)21-18(16-10-11-16)15-7-3-2-4-8-15/h2-9,12,16,18,22H,10-11,13H2,1H3,(H2,20,21,23)
InChIKeyPRPUZEHARBFTME-UHFFFAOYSA-N
XLogP3.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea?
The IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea (CID 17460566) is 1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea.
What is the SMILES notation for 1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea?
The canonical SMILES for 1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea is CS(=O)(=O)Nc1cccc(CNC(=O)NC(c2ccccc2)C2CC2)c1.
What is the InChIKey of 1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea?
The InChIKey is PRPUZEHARBFTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-26(24,25)22-17-9-5-6-14(12-17)13-20-19(23)21-18(16-10-11-16)15-7-3-2-4-8-15/h2-9,12,16,18,22H,10-11,13H2,1H3,(H2,20,21,23).
What are the key properties of 1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea?
1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea has a molecular weight of 373.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea is sourced from PubChem (CID 17460566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).