N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide

C25H20N2O3S3 — CID 41363546

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(N(CCc3cccs3)C(=O)c3cccc4ccccc34)sc2c1
InChIInChI=1S/C25H20N2O3S3/c1-33(29,30)19-11-12-22-23(16-19)32-25(26-22)27(14-13-18-8-5-15-31-18)24(28)21-10-4-7-17-6-2-3-9-20(17)21/h2-12,15-16H,13-14H2,1H3
InChIKeyNHCBHESXLAUKDM-UHFFFAOYSA-N
MW492.65 g/mol
LogP5.80
Rot. Bonds6

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide (PubChem CID 41363546) has the molecular formula C25H20N2O3S3 and a molecular weight of 492.65 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide
PubChem CID41363546
Molecular FormulaC25H20N2O3S3
Molecular Weight492.65 g/mol
Exact Mass492.06
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(N(CCc3cccs3)C(=O)c3cccc4ccccc34)sc2c1
InChIInChI=1S/C25H20N2O3S3/c1-33(29,30)19-11-12-22-23(16-19)32-25(26-22)27(14-13-18-8-5-15-31-18)24(28)21-10-4-7-17-6-2-3-9-20(17)21/h2-12,15-16H,13-14H2,1H3
InChIKeyNHCBHESXLAUKDM-UHFFFAOYSA-N
XLogP5.80
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide 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-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 41363588
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
CID 41363521
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 41363445
N-[2-(diethylamino)ethyl]-2,3-dimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44947831
N-[2-(dimethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 44923496
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 44929614
N-[2-(dimethylamino)ethyl]-2,4-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44947691
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 41363097
N-[2-(diethylamino)ethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
CID 18589767
N-[2-(diethylamino)ethyl]-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)naphthalene-1-carboxamide
CID 41345967
2,4-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29278703
5-chloro-N-[2-(dimethylamino)ethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 18589753

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide (CID 41363546) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide is CS(=O)(=O)c1ccc2nc(N(CCc3cccs3)C(=O)c3cccc4ccccc34)sc2c1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide?
The InChIKey is NHCBHESXLAUKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3S3/c1-33(29,30)19-11-12-22-23(16-19)32-25(26-22)27(14-13-18-8-5-15-31-18)24(28)21-10-4-7-17-6-2-3-9-20(17)21/h2-12,15-16H,13-14H2,1H3.
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 41363546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).