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

C17H21N3O4S — CID 16608876

IUPAC1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCc2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C17H21N3O4S/c1-24-16-8-4-6-14(10-16)12-19-17(21)18-11-13-5-3-7-15(9-13)20-25(2,22)23/h3-10,20H,11-12H2,1-2H3,(H2,18,19,21)
InChIKeyVLYHWYPIWPCJMK-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.07
Rot. Bonds7

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

1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 16608876) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID16608876
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCc2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C17H21N3O4S/c1-24-16-8-4-6-14(10-16)12-19-17(21)18-11-13-5-3-7-15(9-13)20-25(2,22)23/h3-10,20H,11-12H2,1-2H3,(H2,18,19,21)
InChIKeyVLYHWYPIWPCJMK-UHFFFAOYSA-N
XLogP2.07
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea
CID 41465627
methyl 4-[[3-(methanesulfonamido)phenyl]methylcarbamoylamino]benzoate
CID 47039865
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
1-(3,3-dimethylbutyl)-3-[(3-methoxyphenyl)methyl]urea
CID 38270007
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[(3-methoxyphenyl)methyl]-3-[2-(methylsulfonylmethyl)phenyl]urea
CID 60603716
2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea (CID 16608876) is 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)NCc2cccc(NS(C)(=O)=O)c2)c1.
What is the InChIKey of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is VLYHWYPIWPCJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-24-16-8-4-6-14(10-16)12-19-17(21)18-11-13-5-3-7-15(9-13)20-25(2,22)23/h3-10,20H,11-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 363.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methanesulfonamido)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 16608876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).