N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide

C16H25N3O3S2 — CID 91817602

IUPACN-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCCc1ccc(C(C)O)s1
InChIInChI=1S/C16H25N3O3S2/c1-10(2)19-12(4)16(11(3)18-19)24(21,22)17-9-8-14-6-7-15(23-14)13(5)20/h6-7,10,13,17,20H,8-9H2,1-5H3
InChIKeyBMUHUVSXLSAMRV-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.72
Rot. Bonds7

About N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide

N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 91817602) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID91817602
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC NameN-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCCc1ccc(C(C)O)s1
InChIInChI=1S/C16H25N3O3S2/c1-10(2)19-12(4)16(11(3)18-19)24(21,22)17-9-8-14-6-7-15(23-14)13(5)20/h6-7,10,13,17,20H,8-9H2,1-5H3
InChIKeyBMUHUVSXLSAMRV-UHFFFAOYSA-N
XLogP2.72
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide with MolForge

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Related Compounds

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
[(S)-2-(5-chloro-2-thienyl)-2-methoxyethyl](1-isopropyl-3,5-dimethyl-4-pyrazolylsulfonyl)amine
CID 100729868
Dimethylamino-[5-(1,5-dimethylpyrazol-3-yl)thiophen-2-yl]methanol
CID 143534101
1-(3-hydroxypropyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 65731161
1-(2-hydroxyethyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 65731168
1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrazole-4-sulfonamide
CID 65738869
2-(1,3-Diethylpyrazol-5-yl)-1-thiophen-2-ylethanol
CID 65874145
2-(2,5-Dimethylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 65876383
2-(3-Ethyl-1-methylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 65876384
2-(1,3-Diethylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanol
CID 65876385

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 91817602) is N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCc1ccc(C(C)O)s1.
What is the InChIKey of N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is BMUHUVSXLSAMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-10(2)19-12(4)16(11(3)18-19)24(21,22)17-9-8-14-6-7-15(23-14)13(5)20/h6-7,10,13,17,20H,8-9H2,1-5H3.
What are the key properties of N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 371.53 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-hydroxyethyl)thiophen-2-yl]ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 91817602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).