N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide

C21H38N2O4S3 — CID 18713994

IUPACN-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(c2ccc(CCNS(=O)(=O)C(C)C)s2)CC1
InChIInChI=1S/C21H38N2O4S3/c1-15(2)29(24,25)22-13-12-20-10-11-21(28-20)19-8-6-18(7-9-19)17(5)14-23-30(26,27)16(3)4/h10-11,15-19,22-23H,6-9,12-14H2,1-5H3
InChIKeyPGEUHJCKCFSWMQ-UHFFFAOYSA-N
MW478.75 g/mol
LogP3.86
Rot. Bonds11

About N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide

N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide (PubChem CID 18713994) has the molecular formula C21H38N2O4S3 and a molecular weight of 478.75 g/mol. Its IUPAC name is N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
PubChem CID18713994
Molecular FormulaC21H38N2O4S3
Molecular Weight478.75 g/mol
Exact Mass478.20
IUPAC NameN-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(c2ccc(CCNS(=O)(=O)C(C)C)s2)CC1
InChIInChI=1S/C21H38N2O4S3/c1-15(2)29(24,25)22-13-12-20-10-11-21(28-20)19-8-6-18(7-9-19)17(5)14-23-30(26,27)16(3)4/h10-11,15-19,22-23H,6-9,12-14H2,1-5H3
InChIKeyPGEUHJCKCFSWMQ-UHFFFAOYSA-N
XLogP3.86
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.75
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18713933
N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713992
2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]acetic acid
CID 18713877
N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713902
N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18714009
N-[2-[4-[4-[2-(ethenylsulfonylamino)ethyl]phenyl]-4-hydroxycyclohexyl]propyl]propane-2-sulfonamide
CID 18714018
N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide
CID 18713899
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide
CID 106035235
N-(2-amino-2-cyclopropylethyl)propane-2-sulfonamide
CID 63764902
N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
CID 18713954
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine
CID 115663153

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide (CID 18713994) is N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CCC(c2ccc(CCNS(=O)(=O)C(C)C)s2)CC1.
What is the InChIKey of N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide?
The InChIKey is PGEUHJCKCFSWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O4S3/c1-15(2)29(24,25)22-13-12-20-10-11-21(28-20)19-8-6-18(7-9-19)17(5)14-23-30(26,27)16(3)4/h10-11,15-19,22-23H,6-9,12-14H2,1-5H3.
What are the key properties of N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide?
N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide has a molecular weight of 478.75 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 18713994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).