1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea

C17H23N5O3S — CID 125170085

IUPAC1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)N[C@H](C)Cc2cnccn2)cc1
InChIInChI=1S/C17H23N5O3S/c1-3-8-20-26(24,25)16-6-4-14(5-7-16)22-17(23)21-13(2)11-15-12-18-9-10-19-15/h4-7,9-10,12-13,20H,3,8,11H2,1-2H3,(H2,21,22,23)/t13-/m1/s1
InChIKeyWHKWUZGIORGYAZ-CYBMUJFWSA-N
MW377.47 g/mol
LogP1.92
Rot. Bonds8

About 1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea

1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea (PubChem CID 125170085) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
PubChem CID125170085
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)N[C@H](C)Cc2cnccn2)cc1
InChIInChI=1S/C17H23N5O3S/c1-3-8-20-26(24,25)16-6-4-14(5-7-16)22-17(23)21-13(2)11-15-12-18-9-10-19-15/h4-7,9-10,12-13,20H,3,8,11H2,1-2H3,(H2,21,22,23)/t13-/m1/s1
InChIKeyWHKWUZGIORGYAZ-CYBMUJFWSA-N
XLogP1.92
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 4985724
1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
CID 97453321
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17320825
N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
CID 120715921
N-propyl-4-(1,2,2-tricyanoethenylamino)benzenesulfonamide
CID 168607187
3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17149776
N-propylpyridine-3-sulfonamide
CID 43258995
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
1-[4-(propylsulfamoyl)phenyl]-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]urea
CID 118765299
4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea?
The IUPAC name of 1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea (CID 125170085) is 1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea?
The canonical SMILES for 1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea is CCCNS(=O)(=O)c1ccc(NC(=O)N[C@H](C)Cc2cnccn2)cc1.
What is the InChIKey of 1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea?
The InChIKey is WHKWUZGIORGYAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-3-8-20-26(24,25)16-6-4-14(5-7-16)22-17(23)21-13(2)11-15-12-18-9-10-19-15/h4-7,9-10,12-13,20H,3,8,11H2,1-2H3,(H2,21,22,23)/t13-/m1/s1.
What are the key properties of 1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea?
1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea has a molecular weight of 377.47 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea is sourced from PubChem (CID 125170085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).