N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide

C23H39N5O4S — CID 92877613

IUPACN-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C23H39N5O4S/c1-16-9-12-26(13-10-16)22(30)19-8-7-11-27(14-19)33(31,32)21-17(2)25-28(18(21)3)15-20(29)24-23(4,5)6/h16,19H,7-15H2,1-6H3,(H,24,29)/t19-/m0/s1
InChIKeyWQOQHOKYAPFBEG-IBGZPJMESA-N
MW481.66 g/mol
LogP2.07
Rot. Bonds5

About N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide

N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide (PubChem CID 92877613) has the molecular formula C23H39N5O4S and a molecular weight of 481.66 g/mol. Its IUPAC name is N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide
PubChem CID92877613
Molecular FormulaC23H39N5O4S
Molecular Weight481.66 g/mol
Exact Mass481.27
IUPAC NameN-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C23H39N5O4S/c1-16-9-12-26(13-10-16)22(30)19-8-7-11-27(14-19)33(31,32)21-17(2)25-28(18(21)3)15-20(29)24-23(4,5)6/h16,19H,7-15H2,1-6H3,(H,24,29)/t19-/m0/s1
InChIKeyWQOQHOKYAPFBEG-IBGZPJMESA-N
XLogP2.07
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[3,5-dimethyl-4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide
CID 46365336
(3R)-1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 92877646
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide
CID 51210125
2-[4-(3-aminopiperidin-1-yl)sulfonyl-3,5-dimethylpyrazol-1-yl]acetic acid
CID 61403799
1-[3,5-dimethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazol-4-yl]sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 46365339
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide
CID 8561962
[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 53078717
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone
CID 16896655
N-cycloheptyl-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 50794548
(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
CID 94013163

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide (CID 92877613) is N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide is Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C)CC2)C1.
What is the InChIKey of N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide?
The InChIKey is WQOQHOKYAPFBEG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H39N5O4S/c1-16-9-12-26(13-10-16)22(30)19-8-7-11-27(14-19)33(31,32)21-17(2)25-28(18(21)3)15-20(29)24-23(4,5)6/h16,19H,7-15H2,1-6H3,(H,24,29)/t19-/m0/s1.
What are the key properties of N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide?
N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide has a molecular weight of 481.66 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide is sourced from PubChem (CID 92877613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).