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

C16H19N3O3S — CID 108875243

IUPAC1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-3-5-13(6-4-12)11-17-16(20)18-14-7-9-15(10-8-14)19-23(2,21)22/h3-10,19H,11H2,1-2H3,(H2,17,18,20)
InChIKeyUPIRTNLOOKZCSW-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.69
Rot. Bonds5

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

1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 108875243) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID108875243
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-3-5-13(6-4-12)11-17-16(20)18-14-7-9-15(10-8-14)19-23(2,21)22/h3-10,19H,11H2,1-2H3,(H2,17,18,20)
InChIKeyUPIRTNLOOKZCSW-UHFFFAOYSA-N
XLogP2.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 47032733
1-[4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110672
1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 38205496
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 3503064
N-[[4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 57203958
methyl 2-[[4-(methanesulfonamido)phenyl]carbamoylamino]acetate
CID 108875415

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea (CID 108875243) is 1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is UPIRTNLOOKZCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-3-5-13(6-4-12)11-17-16(20)18-14-7-9-15(10-8-14)19-23(2,21)22/h3-10,19H,11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea?
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 333.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 108875243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).