1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea

C19H19N5O4S — CID 3424492

IUPAC1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H19N5O4S/c1-13-3-5-14(6-4-13)22-19(25)23-15-7-9-16(10-8-15)29(26,27)24-17-18(28-2)21-12-11-20-17/h3-12H,1-2H3,(H,20,24)(H2,22,23,25)
InChIKeyRRIXUZIKUYWBGP-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.24
Rot. Bonds6

About 1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea

1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea (PubChem CID 3424492) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
PubChem CID3424492
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H19N5O4S/c1-13-3-5-14(6-4-13)22-19(25)23-15-7-9-16(10-8-15)29(26,27)24-17-18(28-2)21-12-11-20-17/h3-12H,1-2H3,(H,20,24)(H2,22,23,25)
InChIKeyRRIXUZIKUYWBGP-UHFFFAOYSA-N
XLogP3.24
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880
2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782757
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide
CID 54783157
2-chloro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 22693790
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 54783017
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 1040639
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 170923254
2-(4-chloro-3-methylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782740
4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide
CID 25041460
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)butanamide
CID 54782642

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea (CID 3424492) is 1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea?
The InChIKey is RRIXUZIKUYWBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-13-3-5-14(6-4-13)22-19(25)23-15-7-9-16(10-8-15)29(26,27)24-17-18(28-2)21-12-11-20-17/h3-12H,1-2H3,(H,20,24)(H2,22,23,25).
What are the key properties of 1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea?
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea has a molecular weight of 413.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 3424492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).