N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide

C29H24ClN3O5S2 — CID 44949571

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide
SMILESCOc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)nc12
InChIInChI=1S/C29H24ClN3O5S2/c1-37-25-15-14-23(30)27-26(25)31-29(39-27)32(18-21-8-5-17-38-21)28(34)20-10-12-22(13-11-20)40(35,36)33-16-4-7-19-6-2-3-9-24(19)33/h2-3,5-6,8-15,17H,4,7,16,18H2,1H3
InChIKeyPRDPZWUCVRHMFA-UHFFFAOYSA-N
MW594.11 g/mol
LogP6.54
Rot. Bonds7

About N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 44949571) has the molecular formula C29H24ClN3O5S2 and a molecular weight of 594.11 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide
PubChem CID44949571
Molecular FormulaC29H24ClN3O5S2
Molecular Weight594.11 g/mol
Exact Mass593.08
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide
SMILESCOc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)nc12
InChIInChI=1S/C29H24ClN3O5S2/c1-37-25-15-14-23(30)27-26(25)31-29(39-27)32(18-21-8-5-17-38-21)28(34)20-10-12-22(13-11-20)40(35,36)33-16-4-7-19-6-2-3-9-24(19)33/h2-3,5-6,8-15,17H,4,7,16,18H2,1H3
InChIKeyPRDPZWUCVRHMFA-UHFFFAOYSA-N
XLogP6.54
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.11
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide 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

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(dimethylamino)propyl]benzamide
CID 43995037
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949498
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 44949586
4-bromo-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30712659
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949177
4-(azepan-1-ylsulfonyl)-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949459
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(furan-2-ylmethyl)benzamide
CID 30712949
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 18563788
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(furan-2-ylmethyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 44948855
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993579
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 24891964
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43964325

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide (CID 44949571) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide is COc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)nc12.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is PRDPZWUCVRHMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O5S2/c1-37-25-15-14-23(30)27-26(25)31-29(39-27)32(18-21-8-5-17-38-21)28(34)20-10-12-22(13-11-20)40(35,36)33-16-4-7-19-6-2-3-9-24(19)33/h2-3,5-6,8-15,17H,4,7,16,18H2,1H3.
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 594.11 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 44949571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).