N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide

C22H34N2O2S2 — CID 57020561

IUPACN-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide
SMILESCCCC(Cc1ccsc1)NCCCC(CC)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C22H34N2O2S2/c1-4-7-22(16-18-13-15-27-17-18)23-14-6-8-19(5-2)20-9-11-21(12-10-20)24-28(3,25)26/h9-13,15,17,19,22-24H,4-8,14,16H2,1-3H3
InChIKeyZNSVGISDYMAIEG-UHFFFAOYSA-N
MW422.66 g/mol
LogP5.39
Rot. Bonds13

About N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide

N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide (PubChem CID 57020561) has the molecular formula C22H34N2O2S2 and a molecular weight of 422.66 g/mol. Its IUPAC name is N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide
PubChem CID57020561
Molecular FormulaC22H34N2O2S2
Molecular Weight422.66 g/mol
Exact Mass422.21
IUPAC NameN-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide
SMILESCCCC(Cc1ccsc1)NCCCC(CC)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C22H34N2O2S2/c1-4-7-22(16-18-13-15-27-17-18)23-14-6-8-19(5-2)20-9-11-21(12-10-20)24-28(3,25)26/h9-13,15,17,19,22-24H,4-8,14,16H2,1-3H3
InChIKeyZNSVGISDYMAIEG-UHFFFAOYSA-N
XLogP5.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide
CID 57060861
N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide
CID 59156745
N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 105120984
1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 115623841
N-ethyl-6-methyl-1-thiophen-3-ylheptan-2-amine
CID 105177028
2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79438121
N-propyl-1-thiophen-3-ylpent-4-yn-2-amine
CID 105077426
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161
1-thiophen-3-ylbutan-2-ylhydrazine
CID 105201099
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63946949
1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine
CID 79007875

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide (CID 57020561) is N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide is CCCC(Cc1ccsc1)NCCCC(CC)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide?
The InChIKey is ZNSVGISDYMAIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2S2/c1-4-7-22(16-18-13-15-27-17-18)23-14-6-8-19(5-2)20-9-11-21(12-10-20)24-28(3,25)26/h9-13,15,17,19,22-24H,4-8,14,16H2,1-3H3.
What are the key properties of N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide?
N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide has a molecular weight of 422.66 g/mol, XLogP of 5.39, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 57020561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).