N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide

C16H16N2O2S2 — CID 18554591

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2ccc3ccccc3c2)cs1
InChIInChI=1S/C16H16N2O2S2/c1-12-18-15(11-21-12)8-9-17-22(19,20)16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10-11,17H,8-9H2,1H3
InChIKeySEADCQWRMLSRKT-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide (PubChem CID 18554591) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
PubChem CID18554591
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2ccc3ccccc3c2)cs1
InChIInChI=1S/C16H16N2O2S2/c1-12-18-15(11-21-12)8-9-17-22(19,20)16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10-11,17H,8-9H2,1H3
InChIKeySEADCQWRMLSRKT-UHFFFAOYSA-N
XLogP3.13
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-2-sulfonamide
CID 16805893
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 106049680
4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106832986
4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 51125777
N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 3243012
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106049676
5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 110301352
N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106048432
2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 112500676
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 42575279
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106038822

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide (CID 18554591) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide is Cc1nc(CCNS(=O)(=O)c2ccc3ccccc3c2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is SEADCQWRMLSRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-12-18-15(11-21-12)8-9-17-22(19,20)16-7-6-13-4-2-3-5-14(13)10-16/h2-7,10-11,17H,8-9H2,1H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 332.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 18554591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).