1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

C19H23N3O4S — CID 113215609

IUPAC1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCOc1ccc(C2(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-16-6-4-15(5-7-16)19(11-12-19)22-18(23)21-13-10-14-2-8-17(9-3-14)27(20,24)25/h2-9H,10-13H2,1H3,(H2,20,24,25)(H2,21,22,23)
InChIKeyBTLPAUDVZYGJCJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.87
Rot. Bonds7

About 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 113215609) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID113215609
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESCOc1ccc(C2(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-16-6-4-15(5-7-16)19(11-12-19)22-18(23)21-13-10-14-2-8-17(9-3-14)27(20,24)25/h2-9H,10-13H2,1H3,(H2,20,24,25)(H2,21,22,23)
InChIKeyBTLPAUDVZYGJCJ-UHFFFAOYSA-N
XLogP1.87
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198430
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111170022
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677
2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 110316930
N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108510380
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198226
1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 2942269
1-N'-(2-methoxyethyl)-1-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108972706
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108894482

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 113215609) is 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is COc1ccc(C2(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is BTLPAUDVZYGJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-16-6-4-15(5-7-16)19(11-12-19)22-18(23)21-13-10-14-2-8-17(9-3-14)27(20,24)25/h2-9H,10-13H2,1H3,(H2,20,24,25)(H2,21,22,23).
What are the key properties of 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 389.48 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 113215609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).