N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide

C19H24ClN5O4S — CID 155076509

IUPACN-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nccnc1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(Cl)cc1C(C)C
InChIInChI=1S/C19H24ClN5O4S/c1-10(2)14-8-13(20)9-15(11(3)4)16(14)24-19(27)25-30(28,29)18-17(23-12(5)26)21-6-7-22-18/h6-11H,1-5H3,(H,21,23,26)(H2,24,25,27)
InChIKeyAROXVJZKBYLXPP-UHFFFAOYSA-N
MW453.95 g/mol
LogP3.85
Rot. Bonds6

About N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide

N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide (PubChem CID 155076509) has the molecular formula C19H24ClN5O4S and a molecular weight of 453.95 g/mol. Its IUPAC name is N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide
PubChem CID155076509
Molecular FormulaC19H24ClN5O4S
Molecular Weight453.95 g/mol
Exact Mass453.12
IUPAC NameN-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nccnc1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(Cl)cc1C(C)C
InChIInChI=1S/C19H24ClN5O4S/c1-10(2)14-8-13(20)9-15(11(3)4)16(14)24-19(27)25-30(28,29)18-17(23-12(5)26)21-6-7-22-18/h6-11H,1-5H3,(H,21,23,26)(H2,24,25,27)
InChIKeyAROXVJZKBYLXPP-UHFFFAOYSA-N
XLogP3.85
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 137404414
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 122499872
1-(3-acetyl-4-fluorophenyl)sulfonyl-3-[4-chloro-2,6-di(propan-2-yl)phenyl]urea
CID 18461600
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-fluoro-3-(1-hydroxyethyl)phenyl]sulfonylurea
CID 18461669
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(3,6-dimethoxypyridazin-4-yl)sulfonylurea
CID 155076475
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]sulfonylurea
CID 152746787
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[(1-propan-2-ylpyrazol-3-yl)sulfonimidoyl]urea
CID 138532543
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(1-methylazetidin-3-yl)sulfonylurea
CID 155121072
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[3-(methylsulfamoyl)phenyl]sulfonylurea;3-N-methylbenzene-1,3-disulfonamide
CID 70146712
sodium;1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea;hydride
CID 172875133
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[3-(cyclopropylsulfamoyl)phenyl]sulfonylurea
CID 15479964
1-(6-chloronaphthalen-2-yl)sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 134258206

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide?
The IUPAC name of N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide (CID 155076509) is N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide?
The canonical SMILES for N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide is CC(=O)Nc1nccnc1S(=O)(=O)NC(=O)Nc1c(C(C)C)cc(Cl)cc1C(C)C.
What is the InChIKey of N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide?
The InChIKey is AROXVJZKBYLXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O4S/c1-10(2)14-8-13(20)9-15(11(3)4)16(14)24-19(27)25-30(28,29)18-17(23-12(5)26)21-6-7-22-18/h6-11H,1-5H3,(H,21,23,26)(H2,24,25,27).
What are the key properties of N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide?
N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide has a molecular weight of 453.95 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 155076509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).