2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

C16H14N2O4S2 — CID 1108314

IUPAC2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C16H14N2O4S2/c1-22-13-6-4-3-5-11(13)15(19)18-16-17-12-8-7-10(24(2,20)21)9-14(12)23-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyQBKWSDDPQPWLIX-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.96
Rot. Bonds4

About 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 1108314) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID1108314
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Name2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C16H14N2O4S2/c1-22-13-6-4-3-5-11(13)15(19)18-16-17-12-8-7-10(24(2,20)21)9-14(12)23-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyQBKWSDDPQPWLIX-UHFFFAOYSA-N
XLogP2.96
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 788928
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
Benzamide, N-2-benzothiazolyl-2-hydroxy-
CID 696305
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
CID 1247683
5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 1287520

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (CID 1108314) is 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is COc1ccccc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1.
What is the InChIKey of 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is QBKWSDDPQPWLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-22-13-6-4-3-5-11(13)15(19)18-16-17-12-8-7-10(24(2,20)21)9-14(12)23-16/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 1108314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).