2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate

C24H29N3O4S — CID 90775429

IUPAC2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
SMILESCCCCc1cc(C)n(-c2ccc(CCOC(=O)NS(=O)(=O)c3ccc(C)cc3)cc2)n1
InChIInChI=1S/C24H29N3O4S/c1-4-5-6-21-17-19(3)27(25-21)22-11-9-20(10-12-22)15-16-31-24(28)26-32(29,30)23-13-7-18(2)8-14-23/h7-14,17H,4-6,15-16H2,1-3H3,(H,26,28)
InChIKeyBGAVJVRMKJKTPE-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.49
Rot. Bonds9

About 2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate

2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 90775429) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Name2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
PubChem CID90775429
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
SMILESCCCCc1cc(C)n(-c2ccc(CCOC(=O)NS(=O)(=O)c3ccc(C)cc3)cc2)n1
InChIInChI=1S/C24H29N3O4S/c1-4-5-6-21-17-19(3)27(25-21)22-11-9-20(10-12-22)15-16-31-24(28)26-32(29,30)23-13-7-18(2)8-14-23/h7-14,17H,4-6,15-16H2,1-3H3,(H,26,28)
InChIKeyBGAVJVRMKJKTPE-UHFFFAOYSA-N
XLogP4.49
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
CID 10196161
2-[4-(2-ethyl-5-methyl-4-phenylimidazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
CID 91159372
4-bromobutyl N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylcarbamate
CID 58612402
2-[4-[6-chloro-2-ethyl-5-(methoxymethyl)benzimidazol-1-yl]phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
CID 21300433
1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 3515825
2-[4-(2-ethyl-5-methoxy-4-methylbenzimidazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate;4-methylbenzenesulfonic acid
CID 162320132
N-(4-butylphenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 11640195
butyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 132577582
2-[4-[6-chloro-2-(1,5-dimethylpyrazol-3-yl)-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate
CID 86585628
ethyl 4-(5-amino-3-butylpyrazol-1-yl)benzoate
CID 143256280
2-[(4-methylphenoxy)carbonylamino]ethyl N-[4-(2-chloroethyl)phenyl]sulfonylcarbamate
CID 71675505
2-cyanoethyl N-(4-methylphenyl)sulfonylcarbamate
CID 101122672

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of 2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate (CID 90775429) is 2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for 2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for 2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate is CCCCc1cc(C)n(-c2ccc(CCOC(=O)NS(=O)(=O)c3ccc(C)cc3)cc2)n1.
What is the InChIKey of 2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is BGAVJVRMKJKTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-4-5-6-21-17-19(3)27(25-21)22-11-9-20(10-12-22)15-16-31-24(28)26-32(29,30)23-13-7-18(2)8-14-23/h7-14,17H,4-6,15-16H2,1-3H3,(H,26,28).
What are the key properties of 2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate?
2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 455.58 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-butyl-5-methylpyrazol-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 90775429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).