N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C18H27N3O3S2 — CID 91817529

IUPACN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1(c2ccc(C(C)O)s2)CCCC1
InChIInChI=1S/C18H27N3O3S2/c1-12-17(13(2)21(4)20-12)26(23,24)19-11-18(9-5-6-10-18)16-8-7-15(25-16)14(3)22/h7-8,14,19,22H,5-6,9-11H2,1-4H3
InChIKeyOCKBVRUURNJELD-UHFFFAOYSA-N
MW397.57 g/mol
LogP2.94
Rot. Bonds6

About N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 91817529) has the molecular formula C18H27N3O3S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID91817529
Molecular FormulaC18H27N3O3S2
Molecular Weight397.57 g/mol
Exact Mass397.15
IUPAC NameN-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1(c2ccc(C(C)O)s2)CCCC1
InChIInChI=1S/C18H27N3O3S2/c1-12-17(13(2)21(4)20-12)26(23,24)19-11-18(9-5-6-10-18)16-8-7-15(25-16)14(3)22/h7-8,14,19,22H,5-6,9-11H2,1-4H3
InChIKeyOCKBVRUURNJELD-UHFFFAOYSA-N
XLogP2.94
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-trimethyl-N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazole-4-sulfonamide
CID 71806179
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806218
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 86264027
(R)-1-(1-benzothiophen-3-yl)-2-(1-isopropyl-3,5-dimethyl-4-pyrazolylsulfonylamino)-1-ethanol
CID 100726359
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71803876
N-(2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806222
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806391
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71810413
3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 75477661
1-(5-Tert-butylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 81630448
1-(5-Tert-butylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 81639809
1-(5-Tert-butylthiophen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 81640031

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 91817529) is N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC1(c2ccc(C(C)O)s2)CCCC1.
What is the InChIKey of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is OCKBVRUURNJELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S2/c1-12-17(13(2)21(4)20-12)26(23,24)19-11-18(9-5-6-10-18)16-8-7-15(25-16)14(3)22/h7-8,14,19,22H,5-6,9-11H2,1-4H3.
What are the key properties of N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 397.57 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 91817529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).