N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C20H32N4O6S2 — CID 40855209

IUPACN-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1nn(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H32N4O6S2/c1-15-20(32(28,29)22-8-10-30-11-9-22)16(2)23(21-15)13-19(25)24(17-5-3-4-6-17)18-7-12-31(26,27)14-18/h17-18H,3-14H2,1-2H3/t18-/m0/s1
InChIKeyKFGORSLOBSUYEZ-SFHVURJKSA-N
MW488.63 g/mol
LogP0.48
Rot. Bonds6

About N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 40855209) has the molecular formula C20H32N4O6S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID40855209
Molecular FormulaC20H32N4O6S2
Molecular Weight488.63 g/mol
Exact Mass488.18
IUPAC NameN-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1nn(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H32N4O6S2/c1-15-20(32(28,29)22-8-10-30-11-9-22)16(2)23(21-15)13-19(25)24(17-5-3-4-6-17)18-7-12-31(26,27)14-18/h17-18H,3-14H2,1-2H3/t18-/m0/s1
InChIKeyKFGORSLOBSUYEZ-SFHVURJKSA-N
XLogP0.48
TPSA118.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclohexyl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9453915
N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide
CID 91916247
[2-[cyclohexyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 98412131
ethyl 1-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]piperidin-1-ium-4-carboxylate
CID 9281938
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 43063733
4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 9193605
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide
CID 8561962
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3947537
2-(4-benzylsulfonylpiperazin-1-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41290721
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide
CID 55330320
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 8561748

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 40855209) is N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is Cc1nn(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is KFGORSLOBSUYEZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N4O6S2/c1-15-20(32(28,29)22-8-10-30-11-9-22)16(2)23(21-15)13-19(25)24(17-5-3-4-6-17)18-7-12-31(26,27)14-18/h17-18H,3-14H2,1-2H3/t18-/m0/s1.
What are the key properties of N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 488.63 g/mol, XLogP of 0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 40855209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).