1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea

C12H19N3O3S — CID 47120702

IUPAC1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea
SMILESCC(C)C(C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-8(2)9(3)14-12(16)15-10-4-6-11(7-5-10)19(13,17)18/h4-9H,1-3H3,(H2,13,17,18)(H2,14,15,16)
InChIKeyYHFSUVRDJHGQSL-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.50
Rot. Bonds4

About 1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea

1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea (PubChem CID 47120702) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea
PubChem CID47120702
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea
SMILESCC(C)C(C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-8(2)9(3)14-12(16)15-10-4-6-11(7-5-10)19(13,17)18/h4-9H,1-3H3,(H2,13,17,18)(H2,14,15,16)
InChIKeyYHFSUVRDJHGQSL-UHFFFAOYSA-N
XLogP1.50
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]butanoate
CID 4680673
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
4-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 5207855
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
1-(4-cyanophenyl)-3-(3-methylbutan-2-yl)urea
CID 47159354
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 51944392
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
2-methylpropyl N-(4-sulfamoylphenyl)carbamate
CID 18934427
1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 24612359
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea (CID 47120702) is 1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea is CC(C)C(C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is YHFSUVRDJHGQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(2)9(3)14-12(16)15-10-4-6-11(7-5-10)19(13,17)18/h4-9H,1-3H3,(H2,13,17,18)(H2,14,15,16).
What are the key properties of 1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea?
1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 285.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 47120702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).