2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide

C25H32N4O5S — CID 137499468

IUPAC2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)C(=O)N(C)C)n2)cc1
InChIInChI=1S/C25H32N4O5S/c1-25(2,24(30)27(3)4)29-16-15-23(26-29)35(31,32)28(17-19-7-11-21(33-5)12-8-19)18-20-9-13-22(34-6)14-10-20/h7-16H,17-18H2,1-6H3
InChIKeyMMWAWFOEJOAJOH-UHFFFAOYSA-N
MW500.62 g/mol
LogP3.11
Rot. Bonds10

About 2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide

2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide (PubChem CID 137499468) has the molecular formula C25H32N4O5S and a molecular weight of 500.62 g/mol. Its IUPAC name is 2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide
PubChem CID137499468
Molecular FormulaC25H32N4O5S
Molecular Weight500.62 g/mol
Exact Mass500.21
IUPAC Name2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)C(=O)N(C)C)n2)cc1
InChIInChI=1S/C25H32N4O5S/c1-25(2,24(30)27(3)4)29-16-15-23(26-29)35(31,32)28(17-19-7-11-21(33-5)12-8-19)18-20-9-13-22(34-6)14-10-20/h7-16H,17-18H2,1-6H3
InChIKeyMMWAWFOEJOAJOH-UHFFFAOYSA-N
XLogP3.11
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.62
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
CID 165154248
N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
CID 171783920
1-(2-hydroxybutyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 155166174
N,N-bis[(4-methoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide;1-(2-hydroxyethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 159654114
1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 171783939
5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide
CID 162013950
N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 155622551
1-tert-butyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 154630922
N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
CID 167701524
1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide;1-ethyl-5-formyl-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 161318080
5-(4-hydroxyoxan-4-yl)-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide
CID 152500404
1-(2-hydroxyethyl)-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-(2-hydroxyethyl)-2-methylimidazole-4-sulfonamide
CID 158630360

Frequently Asked Questions

What is the IUPAC name of 2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide (CID 137499468) is 2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)C(=O)N(C)C)n2)cc1.
What is the InChIKey of 2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide?
The InChIKey is MMWAWFOEJOAJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5S/c1-25(2,24(30)27(3)4)29-16-15-23(26-29)35(31,32)28(17-19-7-11-21(33-5)12-8-19)18-20-9-13-22(34-6)14-10-20/h7-16H,17-18H2,1-6H3.
What are the key properties of 2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide?
2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide has a molecular weight of 500.62 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 137499468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).