N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide

C20H20N2O2S2 — CID 154764366

IUPACN-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCc1cccs1)Cc1c(C#N)ccc2ccccc12
InChIInChI=1S/C20H20N2O2S2/c1-2-26(23,24)22(12-11-18-7-5-13-25-18)15-20-17(14-21)10-9-16-6-3-4-8-19(16)20/h3-10,13H,2,11-12,15H2,1H3
InChIKeyCWIUSTVZXVVXPN-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.17
Rot. Bonds7

About N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide

N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide (PubChem CID 154764366) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide
PubChem CID154764366
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC NameN-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCc1cccs1)Cc1c(C#N)ccc2ccccc12
InChIInChI=1S/C20H20N2O2S2/c1-2-26(23,24)22(12-11-18-7-5-13-25-18)15-20-17(14-21)10-9-16-6-3-4-8-19(16)20/h3-10,13H,2,11-12,15H2,1H3
InChIKeyCWIUSTVZXVVXPN-UHFFFAOYSA-N
XLogP4.17
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9302359
2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801780
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
CID 103758567
2-bromo-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 107276512
2-chloro-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79033362
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
1-(2-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 110733491
N-benzyl-2-[naphthalen-1-ylsulfonyl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5140226
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The IUPAC name of N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide (CID 154764366) is N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide.
What is the SMILES notation for N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The canonical SMILES for N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide is CCS(=O)(=O)N(CCc1cccs1)Cc1c(C#N)ccc2ccccc12.
What is the InChIKey of N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
The InChIKey is CWIUSTVZXVVXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-2-26(23,24)22(12-11-18-7-5-13-25-18)15-20-17(14-21)10-9-16-6-3-4-8-19(16)20/h3-10,13H,2,11-12,15H2,1H3.
What are the key properties of N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide?
N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide has a molecular weight of 384.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyanonaphthalen-1-yl)methyl]-N-(2-thiophen-2-ylethyl)ethanesulfonamide is sourced from PubChem (CID 154764366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).