1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea

C14H23N3O3S — CID 61340342

IUPAC1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea
SMILESCCNC(C)c1ccc(NC(=O)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-15-11(2)12-5-7-13(8-6-12)17-14(18)16-9-10-21(3,19)20/h5-8,11,15H,4,9-10H2,1-3H3,(H2,16,17,18)
InChIKeyFVJSBKZCOISLEO-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.52
Rot. Bonds7

About 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea

1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea (PubChem CID 61340342) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea.

Molecular Properties

Compound Name1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea
PubChem CID61340342
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea
SMILESCCNC(C)c1ccc(NC(=O)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-4-15-11(2)12-5-7-13(8-6-12)17-14(18)16-9-10-21(3,19)20/h5-8,11,15H,4,9-10H2,1-3H3,(H2,16,17,18)
InChIKeyFVJSBKZCOISLEO-UHFFFAOYSA-N
XLogP1.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340704
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452
4-(2-methylsulfonylethylcarbamoylamino)benzoic acid
CID 61206132
1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
CID 61342170
1-[3-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340525
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 61341076
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
1-propan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 43508325
1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 63995785
3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 54905763
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea?
The IUPAC name of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea (CID 61340342) is 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea.
What is the SMILES notation for 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea?
The canonical SMILES for 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea is CCNC(C)c1ccc(NC(=O)NCCS(C)(=O)=O)cc1.
What is the InChIKey of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea?
The InChIKey is FVJSBKZCOISLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-15-11(2)12-5-7-13(8-6-12)17-14(18)16-9-10-21(3,19)20/h5-8,11,15H,4,9-10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea?
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea has a molecular weight of 313.42 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea is sourced from PubChem (CID 61340342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).