1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea

C14H17N3O3S2 — CID 40881689

IUPAC1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
SMILESC[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H17N3O3S2/c1-10(13-4-3-9-21-13)17(2)14(18)16-11-5-7-12(8-6-11)22(15,19)20/h3-10H,1-2H3,(H,16,18)(H2,15,19,20)/t10-/m0/s1
InChIKeyOYILJHUMXJEJJO-JTQLQIEISA-N
MW339.44 g/mol
LogP2.62
Rot. Bonds4

About 1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea

1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea (PubChem CID 40881689) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
PubChem CID40881689
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
SMILESC[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H17N3O3S2/c1-10(13-4-3-9-21-13)17(2)14(18)16-11-5-7-12(8-6-11)22(15,19)20/h3-10H,1-2H3,(H,16,18)(H2,15,19,20)/t10-/m0/s1
InChIKeyOYILJHUMXJEJJO-JTQLQIEISA-N
XLogP2.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(4-methylsulfonylphenyl)-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55695530
N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18127362
3-(1,3-benzodioxol-5-yl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930016
1-methyl-3-[4-(pyrazol-1-ylmethyl)phenyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 95266017
3-(2-chlorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 47137208
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930015
2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid
CID 115284600
2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114407
N-[4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 134794050
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 99820560
1-methyl-3-(6-methyl-2-pyridinyl)-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 99820561
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate
CID 2570849

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea (CID 40881689) is 1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea is C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea?
The InChIKey is OYILJHUMXJEJJO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-10(13-4-3-9-21-13)17(2)14(18)16-11-5-7-12(8-6-11)22(15,19)20/h3-10H,1-2H3,(H,16,18)(H2,15,19,20)/t10-/m0/s1.
What are the key properties of 1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea?
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea has a molecular weight of 339.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 40881689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).