N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C22H32N4O3S — CID 3236369

IUPACN-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C22H32N4O3S/c1-16-11-13-20(14-12-16)26(15-21(27)23-19-9-7-5-6-8-10-19)30(28,29)22-17(2)24-25(4)18(22)3/h11-14,19H,5-10,15H2,1-4H3,(H,23,27)
InChIKeyYYTIMHCPHWAKOV-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.38
Rot. Bonds6

About N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 3236369) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID3236369
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC NameN-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C22H32N4O3S/c1-16-11-13-20(14-12-16)26(15-21(27)23-19-9-7-5-6-8-10-19)30(28,29)22-17(2)24-25(4)18(22)3/h11-14,19H,5-10,15H2,1-4H3,(H,23,27)
InChIKeyYYTIMHCPHWAKOV-UHFFFAOYSA-N
XLogP3.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 3236369) is N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is Cc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is YYTIMHCPHWAKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-16-11-13-20(14-12-16)26(15-21(27)23-19-9-7-5-6-8-10-19)30(28,29)22-17(2)24-25(4)18(22)3/h11-14,19H,5-10,15H2,1-4H3,(H,23,27).
What are the key properties of N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 432.59 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 3236369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).