1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea

C14H21N3O4S — CID 97088481

IUPAC1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
SMILESC[C@H](NC(=O)NC[C@@H]1CCOC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O4S/c1-10(12-2-4-13(5-3-12)22(15,19)20)17-14(18)16-8-11-6-7-21-9-11/h2-5,10-11H,6-9H2,1H3,(H2,15,19,20)(H2,16,17,18)/t10-,11-/m0/s1
InChIKeyOZEBPWIIUCGEPM-QWRGUYRKSA-N
MW327.41 g/mol
LogP0.73
Rot. Bonds5

About 1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea

1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 97088481) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID97088481
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
SMILESC[C@H](NC(=O)NC[C@@H]1CCOC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H21N3O4S/c1-10(12-2-4-13(5-3-12)22(15,19)20)17-14(18)16-8-11-6-7-21-9-11/h2-5,10-11H,6-9H2,1H3,(H2,15,19,20)(H2,16,17,18)/t10-,11-/m0/s1
InChIKeyOZEBPWIIUCGEPM-QWRGUYRKSA-N
XLogP0.73
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea with MolForge

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Related Compounds

N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 47364042
1-(4-methylsulfonylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931797
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108912931
3-cyclopentyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 8895164
1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 125179663
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2S)-oxolane-2-carboxylate
CID 8808144
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-3-ylmethyl)guanidine
CID 111298503
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
CID 62823323
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea (CID 97088481) is 1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea is C[C@H](NC(=O)NC[C@@H]1CCOC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is OZEBPWIIUCGEPM-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10(12-2-4-13(5-3-12)22(15,19)20)17-14(18)16-8-11-6-7-21-9-11/h2-5,10-11H,6-9H2,1H3,(H2,15,19,20)(H2,16,17,18)/t10-,11-/m0/s1.
What are the key properties of 1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 327.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 97088481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).