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

C19H27N3O3S — CID 2942269

IUPAC1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H27N3O3S/c20-26(24,25)17-3-1-13(2-4-17)5-6-21-18(23)22-19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16H,5-12H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyQYZMGZJNCLULFU-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.14
Rot. Bonds5

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

1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 2942269) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID2942269
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H27N3O3S/c20-26(24,25)17-3-1-13(2-4-17)5-6-21-18(23)22-19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16H,5-12H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyQYZMGZJNCLULFU-UHFFFAOYSA-N
XLogP2.14
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,7R)-3-bromo-N-[2-(4-sulfamoylphenyl)ethyl]adamantane-1-carboxamide
CID 98392780
1-(1-adamantyl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108896104
1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 113215609
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
trans-(1S,3S)-2,2-dimethyl-3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95390266
1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108912931
1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909729
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 30696855
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
sodium 3-(1-adamantylcarbamoylamino)propane-1-sulfonate
CID 23687463
2-(4-sulfamoylphenyl)ethylcarbamodithioic acid
CID 82593514

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 2942269) is 1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is QYZMGZJNCLULFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c20-26(24,25)17-3-1-13(2-4-17)5-6-21-18(23)22-19-10-14-7-15(11-19)9-16(8-14)12-19/h1-4,14-16H,5-12H2,(H2,20,24,25)(H2,21,22,23).
What are the key properties of 1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 377.51 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 2942269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).