N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide

C22H39N3O4S2 — CID 18713933

IUPACN-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(c2ccc(CCNS(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C22H39N3O4S2/c1-17(2)30(26,27)24-16-18(3)20-10-12-22(13-11-20)21-8-6-19(7-9-21)14-15-23-31(28,29)25(4)5/h6-9,17-18,20,22-24H,10-16H2,1-5H3
InChIKeyYMIBOVBUJHRQHI-UHFFFAOYSA-N
MW473.71 g/mol
LogP2.86
Rot. Bonds11

About N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide

N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide (PubChem CID 18713933) has the molecular formula C22H39N3O4S2 and a molecular weight of 473.71 g/mol. Its IUPAC name is N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
PubChem CID18713933
Molecular FormulaC22H39N3O4S2
Molecular Weight473.71 g/mol
Exact Mass473.24
IUPAC NameN-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CCC(c2ccc(CCNS(=O)(=O)N(C)C)cc2)CC1
InChIInChI=1S/C22H39N3O4S2/c1-17(2)30(26,27)24-16-18(3)20-10-12-22(13-11-20)21-8-6-19(7-9-21)14-15-23-31(28,29)25(4)5/h6-9,17-18,20,22-24H,10-16H2,1-5H3
InChIKeyYMIBOVBUJHRQHI-UHFFFAOYSA-N
XLogP2.86
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.71
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]acetic acid
CID 18713877
N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713992
N-[2-[5-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
CID 18713994
1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene
CID 110790785
N-[2-[4-hydroxy-4-[4-[2-(propan-2-ylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide
CID 18714009
1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713902
N-[2-[4-[1-hydroxy-4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexyl]phenyl]ethyl]pyrrolidine-1-sulfonamide
CID 18713899
N-[2-[4-[4-[2-(prop-1-en-2-ylsulfonylamino)ethyl]phenyl]cyclohex-3-en-1-yl]propyl]propane-2-sulfonamide
CID 18713954
1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene
CID 35302797
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257
N-[2-[4-[4-[1-(propan-2-ylsulfonylamino)propan-2-yl]cyclohexen-1-yl]phenyl]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18713949

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide (CID 18713933) is N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CCC(c2ccc(CCNS(=O)(=O)N(C)C)cc2)CC1.
What is the InChIKey of N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide?
The InChIKey is YMIBOVBUJHRQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O4S2/c1-17(2)30(26,27)24-16-18(3)20-10-12-22(13-11-20)21-8-6-19(7-9-21)14-15-23-31(28,29)25(4)5/h6-9,17-18,20,22-24H,10-16H2,1-5H3.
What are the key properties of N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide?
N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide has a molecular weight of 473.71 g/mol, XLogP of 2.86, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-[2-(dimethylsulfamoylamino)ethyl]phenyl]cyclohexyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 18713933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).