3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

C17H16N2O4S2 — CID 6484634

IUPAC3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O4S2/c1-23-12-7-8-14-15(11-12)24-17(18-14)19-16(20)9-10-25(21,22)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19,20)
InChIKeyCOTXUXFIDSEDNR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.11
Rot. Bonds6

About 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 6484634) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID6484634
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C17H16N2O4S2/c1-23-12-7-8-14-15(11-12)24-17(18-14)19-16(20)9-10-25(21,22)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19,20)
InChIKeyCOTXUXFIDSEDNR-UHFFFAOYSA-N
XLogP3.11
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide 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

3-(benzenesulfonyl)-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]propanamide
CID 19584138
3-(4-methoxyphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 41323629
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544287
3-(4-chlorophenyl)sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 18076696
3-(4-fluorophenyl)sulfonyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)propanehydrazide
CID 7600479
3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide
CID 41323655
4-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 16823694
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 3237471
3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7578979

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 6484634) is 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is COc1ccc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is COTXUXFIDSEDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-23-12-7-8-14-15(11-12)24-17(18-14)19-16(20)9-10-25(21,22)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19,20).
What are the key properties of 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 376.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 6484634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).