N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide

C22H31N5O4S — CID 53078943

IUPACN-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)CC2)c1C
InChIInChI=1S/C22H31N5O4S/c1-14(2)27-17(5)21(16(4)24-27)32(30,31)26-12-10-25(11-13-26)22(29)19-8-7-9-20(15(19)3)23-18(6)28/h7-9,14H,10-13H2,1-6H3,(H,23,28)
InChIKeyKUSAJLGSNZPLQB-UHFFFAOYSA-N
MW461.59 g/mol
LogP2.49
Rot. Bonds5

About N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide

N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide (PubChem CID 53078943) has the molecular formula C22H31N5O4S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide
PubChem CID53078943
Molecular FormulaC22H31N5O4S
Molecular Weight461.59 g/mol
Exact Mass461.21
IUPAC NameN-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)CC2)c1C
InChIInChI=1S/C22H31N5O4S/c1-14(2)27-17(5)21(16(4)24-27)32(30,31)26-12-10-25(11-13-26)22(29)19-8-7-9-20(15(19)3)23-18(6)28/h7-9,14H,10-13H2,1-6H3,(H,23,28)
InChIKeyKUSAJLGSNZPLQB-UHFFFAOYSA-N
XLogP2.49
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 53078983
4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 53078958
[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1H-indol-6-yl)methanone
CID 53000039
N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 53078954
[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53078979
(2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078803
1-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 53079051
(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078819
1-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 71843459
3-cyclopentyl-1-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 53078959
[2-(2,3-dimethylanilino)phenyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 41283537
2-(4-bromophenyl)-N-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 166354166

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide?
The IUPAC name of N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide (CID 53078943) is N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3c(C)nn(C(C)C)c3C)CC2)c1C.
What is the InChIKey of N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide?
The InChIKey is KUSAJLGSNZPLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4S/c1-14(2)27-17(5)21(16(4)24-27)32(30,31)26-12-10-25(11-13-26)22(29)19-8-7-9-20(15(19)3)23-18(6)28/h7-9,14H,10-13H2,1-6H3,(H,23,28).
What are the key properties of N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide?
N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide has a molecular weight of 461.59 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 53078943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).