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

C16H19N3O4S — CID 38215828

IUPAC1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O4S/c1-23-15-9-4-3-6-12(15)11-17-16(20)18-13-7-5-8-14(10-13)19-24(2,21)22/h3-10,19H,11H2,1-2H3,(H2,17,18,20)
InChIKeyBHJOVKOPYPXSGG-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.39
Rot. Bonds6

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

1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 38215828) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID38215828
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O4S/c1-23-15-9-4-3-6-12(15)11-17-16(20)18-13-7-5-8-14(10-13)19-24(2,21)22/h3-10,19H,11H2,1-2H3,(H2,17,18,20)
InChIKeyBHJOVKOPYPXSGG-UHFFFAOYSA-N
XLogP2.39
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38216887
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087564
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
3-(ethylsulfonylamino)-N-[(2-methoxyphenyl)methyl]benzamide
CID 25348432
tert-butyl N-[2-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]ethyl]carbamate
CID 91280373
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 53110497

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea (CID 38215828) is 1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)Nc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is BHJOVKOPYPXSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-15-9-4-3-6-12(15)11-17-16(20)18-13-7-5-8-14(10-13)19-24(2,21)22/h3-10,19H,11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 349.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 38215828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).