1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea

C16H18N2O4S — CID 821106

IUPAC1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(CNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12-3-9-15(10-4-12)23(20,21)18-16(19)17-11-13-5-7-14(22-2)8-6-13/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyNEHHOFVWXIHEJT-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.19
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea

1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 821106) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID821106
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(CNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12-3-9-15(10-4-12)23(20,21)18-16(19)17-11-13-5-7-14(22-2)8-6-13/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyNEHHOFVWXIHEJT-UHFFFAOYSA-N
XLogP2.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-3-[(4-methoxyphenyl)methyl]urea
CID 15323520
N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
4-{2-[(3,4-Dimethoxybenzyl)amino]ethyl}benzenesulfonamide
CID 4722332
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4877419
N-(4-Methoxy-benzyl)-4-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 654019
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
N-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}-4-methylbenzenesulfonamide
CID 1319149
N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 779351

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea (CID 821106) is 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea is COc1ccc(CNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is NEHHOFVWXIHEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12-3-9-15(10-4-12)23(20,21)18-16(19)17-11-13-5-7-14(22-2)8-6-13/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 334.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 821106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).