N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide

C26H39N5O3S — CID 20868455

IUPACN-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCN(C2CCCC2)CC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C26H39N5O3S/c1-19(2)22-10-12-24(13-11-22)31(35(33,34)26-20(3)27-28(5)21(26)4)18-25(32)30-16-14-29(15-17-30)23-8-6-7-9-23/h10-13,19,23H,6-9,14-18H2,1-5H3
InChIKeyDSAPXICLZWEUNS-UHFFFAOYSA-N
MW501.70 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide

N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide (PubChem CID 20868455) has the molecular formula C26H39N5O3S and a molecular weight of 501.70 g/mol. Its IUPAC name is N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
PubChem CID20868455
Molecular FormulaC26H39N5O3S
Molecular Weight501.70 g/mol
Exact Mass501.28
IUPAC NameN-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCN(C2CCCC2)CC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C26H39N5O3S/c1-19(2)22-10-12-24(13-11-22)31(35(33,34)26-20(3)27-28(5)21(26)4)18-25(32)30-16-14-29(15-17-30)23-8-6-7-9-23/h10-13,19,23H,6-9,14-18H2,1-5H3
InChIKeyDSAPXICLZWEUNS-UHFFFAOYSA-N
XLogP3.44
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.70
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 92666354
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 20858729
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide
CID 20858722
N-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868383
N-(4-methyl-2-pyridinyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 122175690
N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868454
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid
CID 126459099
1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774449
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868381
N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide
CID 155902228
N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)methanesulfonamide
CID 6964825
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 1000480

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide (CID 20868455) is N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCN(C2CCCC2)CC1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide?
The InChIKey is DSAPXICLZWEUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O3S/c1-19(2)22-10-12-24(13-11-22)31(35(33,34)26-20(3)27-28(5)21(26)4)18-25(32)30-16-14-29(15-17-30)23-8-6-7-9-23/h10-13,19,23H,6-9,14-18H2,1-5H3.
What are the key properties of N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide?
N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide has a molecular weight of 501.70 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 20868455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).