1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea

C19H25N3O3S — CID 41465212

IUPAC1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea
SMILESCC[C@H](NC(=O)NCc1cccc(NS(C)(=O)=O)c1)c1ccc(C)cc1
InChIInChI=1S/C19H25N3O3S/c1-4-18(16-10-8-14(2)9-11-16)21-19(23)20-13-15-6-5-7-17(12-15)22-26(3,24)25/h5-12,18,22H,4,13H2,1-3H3,(H2,20,21,23)/t18-/m0/s1
InChIKeyHTYLPPSUFLJVLN-SFHVURJKSA-N
MW375.49 g/mol
LogP3.32
Rot. Bonds7

About 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea

1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea (PubChem CID 41465212) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea
PubChem CID41465212
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea
SMILESCC[C@H](NC(=O)NCc1cccc(NS(C)(=O)=O)c1)c1ccc(C)cc1
InChIInChI=1S/C19H25N3O3S/c1-4-18(16-10-8-14(2)9-11-16)21-19(23)20-13-15-6-5-7-17(12-15)22-26(3,24)25/h5-12,18,22H,4,13H2,1-3H3,(H2,20,21,23)/t18-/m0/s1
InChIKeyHTYLPPSUFLJVLN-SFHVURJKSA-N
XLogP3.32
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 16608992
1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 17460566
1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea
CID 41465627
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 16608876
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
methyl 4-[[3-(methanesulfonamido)phenyl]methylcarbamoylamino]benzoate
CID 47039865
2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953
2-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 25494188
1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108898313
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea?
The IUPAC name of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea (CID 41465212) is 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea.
What is the SMILES notation for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea?
The canonical SMILES for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea is CC[C@H](NC(=O)NCc1cccc(NS(C)(=O)=O)c1)c1ccc(C)cc1.
What is the InChIKey of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea?
The InChIKey is HTYLPPSUFLJVLN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-4-18(16-10-8-14(2)9-11-16)21-19(23)20-13-15-6-5-7-17(12-15)22-26(3,24)25/h5-12,18,22H,4,13H2,1-3H3,(H2,20,21,23)/t18-/m0/s1.
What are the key properties of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea?
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea has a molecular weight of 375.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(1S)-1-(4-methylphenyl)propyl]urea is sourced from PubChem (CID 41465212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).