N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

C18H25NO3S2 — CID 121132245

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(O)c2ccsc2)c(C)c1C
InChIInChI=1S/C18H25NO3S2/c1-11-12(2)14(4)18(15(5)13(11)3)24(21,22)19-8-6-17(20)16-7-9-23-10-16/h7,9-10,17,19-20H,6,8H2,1-5H3
InChIKeyLLUBHAMGLVEMOT-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.69
Rot. Bonds6

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 121132245) has the molecular formula C18H25NO3S2 and a molecular weight of 367.54 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID121132245
Molecular FormulaC18H25NO3S2
Molecular Weight367.54 g/mol
Exact Mass367.13
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCCC(O)c2ccsc2)c(C)c1C
InChIInChI=1S/C18H25NO3S2/c1-11-12(2)14(4)18(15(5)13(11)3)24(21,22)19-8-6-17(20)16-7-9-23-10-16/h7,9-10,17,19-20H,6,8H2,1-5H3
InChIKeyLLUBHAMGLVEMOT-UHFFFAOYSA-N
XLogP3.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
CID 121132222
4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide
CID 99981347
4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide
CID 99981391
N-[4-[(3-hydroxy-3-thiophen-3-ylpropyl)sulfamoyl]-3-methylphenyl]propanamide
CID 121132251
3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 86264143
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 99981469
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406
N-(3-hydroxy-3-thiophen-3-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121132253
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121133913
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
3-amino-1-thiophen-3-ylpropan-1-ol
CID 65185005
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 121132268

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 121132245) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NCCC(O)c2ccsc2)c(C)c1C.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is LLUBHAMGLVEMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S2/c1-11-12(2)14(4)18(15(5)13(11)3)24(21,22)19-8-6-17(20)16-7-9-23-10-16/h7,9-10,17,19-20H,6,8H2,1-5H3.
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 367.54 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 121132245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).