1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea

C16H25N3O5S — CID 118777650

IUPAC1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCC2CCCOC2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H25N3O5S/c1-23-15-6-5-13(10-14(15)19-25(2,21)22)18-16(20)17-8-7-12-4-3-9-24-11-12/h5-6,10,12,19H,3-4,7-9,11H2,1-2H3,(H2,17,18,20)
InChIKeyGNUWPIPWSRHWJV-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.00
Rot. Bonds7

About 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea

1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea (PubChem CID 118777650) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea
PubChem CID118777650
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Name1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCC2CCCOC2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H25N3O5S/c1-23-15-6-5-13(10-14(15)19-25(2,21)22)18-16(20)17-8-7-12-4-3-9-24-11-12/h5-6,10,12,19H,3-4,7-9,11H2,1-2H3,(H2,17,18,20)
InChIKeyGNUWPIPWSRHWJV-UHFFFAOYSA-N
XLogP2.00
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-[2-(oxan-3-yl)ethyl]urea
CID 118763888
N-[4-methoxy-3-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63740553
1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
CID 118782410
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 118763815
2-methoxy-5-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]benzamide
CID 126435497
1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea
CID 125159828
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide
CID 154839545
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 134019095
1-[2-[(3S)-oxan-3-yl]ethyl]-3-(2,3,5-trifluorophenyl)urea
CID 125177285
(1S,2R,4S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98785794
N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide
CID 119419889
1-[(3S)-hex-5-en-3-yl]-3-[3-(methanesulfonamido)-4-methoxyphenyl]urea
CID 124889174

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea?
The IUPAC name of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea (CID 118777650) is 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea?
The canonical SMILES for 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea is COc1ccc(NC(=O)NCCC2CCCOC2)cc1NS(C)(=O)=O.
What is the InChIKey of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea?
The InChIKey is GNUWPIPWSRHWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-23-15-6-5-13(10-14(15)19-25(2,21)22)18-16(20)17-8-7-12-4-3-9-24-11-12/h5-6,10,12,19H,3-4,7-9,11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea?
1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea has a molecular weight of 371.46 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)-4-methoxyphenyl]-3-[2-(oxan-3-yl)ethyl]urea is sourced from PubChem (CID 118777650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).