1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea

C12H19N3O3S — CID 25362862

IUPAC1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(C)NC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-8(2)14-12(16)15-9(3)10-4-6-11(7-5-10)19(13,17)18/h4-9H,1-3H3,(H2,13,17,18)(H2,14,15,16)/t9-/m0/s1
InChIKeyVBCSNBGBOMCHBU-VIFPVBQESA-N
MW285.37 g/mol
LogP1.10
Rot. Bonds4

About 1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea

1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 25362862) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID25362862
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(C)NC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-8(2)14-12(16)15-9(3)10-4-6-11(7-5-10)19(13,17)18/h4-9H,1-3H3,(H2,13,17,18)(H2,14,15,16)/t9-/m0/s1
InChIKeyVBCSNBGBOMCHBU-VIFPVBQESA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 75811590
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 24612359
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
2,2,2-trifluoroethyl N-[(1S)-1-(4-sulfamoylphenyl)ethyl]carbamate
CID 94033199

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea (CID 25362862) is 1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea is CC(C)NC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is VBCSNBGBOMCHBU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(2)14-12(16)15-9(3)10-4-6-11(7-5-10)19(13,17)18/h4-9H,1-3H3,(H2,13,17,18)(H2,14,15,16)/t9-/m0/s1.
What are the key properties of 1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea?
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 285.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 25362862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).