1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea

C18H28N4O4S — CID 48761938

IUPAC1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1OC
InChIInChI=1S/C18H28N4O4S/c1-3-27(24,25)21-16-7-4-14(12-17(16)26-2)20-18(23)19-13-8-10-22(11-9-13)15-5-6-15/h4,7,12-13,15,21H,3,5-6,8-11H2,1-2H3,(H2,19,20,23)
InChIKeyRYFGMSVOYWXSLT-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.21
Rot. Bonds7

About 1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea

1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea (PubChem CID 48761938) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea
PubChem CID48761938
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1OC
InChIInChI=1S/C18H28N4O4S/c1-3-27(24,25)21-16-7-4-14(12-17(16)26-2)20-18(23)19-13-8-10-22(11-9-13)15-5-6-15/h4,7,12-13,15,21H,3,5-6,8-11H2,1-2H3,(H2,19,20,23)
InChIKeyRYFGMSVOYWXSLT-UHFFFAOYSA-N
XLogP2.21
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-4-carboxamide;hydrochloride
CID 119298110
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119298124
(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylpent-2-enamide
CID 97456217
methyl 3-[2-[3-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]phenyl]ethynyl]benzoate
CID 47040492
4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 55956522
1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea
CID 116658847
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
ethyl 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
ethyl 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108989901
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,2-diphenylacetamide
CID 60552778

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea?
The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea (CID 48761938) is 1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea.
What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea?
The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea is CCS(=O)(=O)Nc1ccc(NC(=O)NC2CCN(C3CC3)CC2)cc1OC.
What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea?
The InChIKey is RYFGMSVOYWXSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-3-27(24,25)21-16-7-4-14(12-17(16)26-2)20-18(23)19-13-8-10-22(11-9-13)15-5-6-15/h4,7,12-13,15,21H,3,5-6,8-11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea?
1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea has a molecular weight of 396.51 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpiperidin-4-yl)-3-[4-(ethylsulfonylamino)-3-methoxyphenyl]urea is sourced from PubChem (CID 48761938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).