1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide

C22H31N5O4S — CID 110200299

IUPAC1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C22H31N5O4S/c1-16-22(17(2)26(3)25-16)32(30,31)24-15-21(29)27-13-9-5-8-12-23-20(28)14-19(27)18-10-6-4-7-11-18/h4,6-7,10-11,19,24H,5,8-9,12-15H2,1-3H3,(H,23,28)
InChIKeyCIINDRCXVPQWEY-UHFFFAOYSA-N
MW461.59 g/mol
LogP1.58
Rot. Bonds5

About 1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 110200299) has the molecular formula C22H31N5O4S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID110200299
Molecular FormulaC22H31N5O4S
Molecular Weight461.59 g/mol
Exact Mass461.21
IUPAC Name1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1
InChIInChI=1S/C22H31N5O4S/c1-16-22(17(2)26(3)25-16)32(30,31)24-15-21(29)27-13-9-5-8-12-23-20(28)14-19(27)18-10-6-4-7-11-18/h4,6-7,10-11,19,24H,5,8-9,12-15H2,1-3H3,(H,23,28)
InChIKeyCIINDRCXVPQWEY-UHFFFAOYSA-N
XLogP1.58
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307103
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5309777
N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858730
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 2558400
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4787528
N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307629
N-(3-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20855619
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 25163266
N~1~-cycloheptyl-N~2~-(4-methylphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3236369

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide (CID 110200299) is 1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(=O)N1CCCCCNC(=O)CC1c1ccccc1.
What is the InChIKey of 1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is CIINDRCXVPQWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S/c1-16-22(17(2)26(3)25-16)32(30,31)24-15-21(29)27-13-9-5-8-12-23-20(28)14-19(27)18-10-6-4-7-11-18/h4,6-7,10-11,19,24H,5,8-9,12-15H2,1-3H3,(H,23,28).
What are the key properties of 1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 461.59 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 110200299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).