N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide

C24H21ClN2O3S — CID 11419624

IUPACN-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide
SMILESCCOc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccccc3s2)cc1OCC
InChIInChI=1S/C24H21ClN2O3S/c1-3-29-20-14-13-16(15-21(20)30-4-2)27(23(28)17-9-5-6-10-18(17)25)24-26-19-11-7-8-12-22(19)31-24/h5-15H,3-4H2,1-2H3
InChIKeyLXBXFHCMWKBLBA-UHFFFAOYSA-N
MW452.96 g/mol
LogP6.73
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide

N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide (PubChem CID 11419624) has the molecular formula C24H21ClN2O3S and a molecular weight of 452.96 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide
PubChem CID11419624
Molecular FormulaC24H21ClN2O3S
Molecular Weight452.96 g/mol
Exact Mass452.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide
SMILESCCOc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccccc3s2)cc1OCC
InChIInChI=1S/C24H21ClN2O3S/c1-3-29-20-14-13-16(15-21(20)30-4-2)27(23(28)17-9-5-6-10-18(17)25)24-26-19-11-7-8-12-22(19)31-24/h5-15H,3-4H2,1-2H3
InChIKeyLXBXFHCMWKBLBA-UHFFFAOYSA-N
XLogP6.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.96
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-methoxyphenyl)benzamide
CID 11280885
2-chloro-N-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 11465553
2-chloro-N-(3,4-dimethoxyphenyl)-N-[6-(sulfonylamino)-1,3-benzothiazol-2-yl]benzamide
CID 87765021
N-[4-(aminomethoxy)phenyl]-N-(1,3-benzothiazol-2-yl)-2,4-dichlorobenzamide
CID 142980039
N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2467124
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2526399
N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide
CID 8012636
N-(1,3-benzothiazol-2-yl)-N-(3,4-dimethoxyphenyl)-2,4-bis(trifluoromethyl)benzamide
CID 11364492
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
CID 9208855
2-[(2-chlorobenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium
CID 7507427
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
CID 2345159
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 8891857

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide (CID 11419624) is N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide is CCOc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccccc3s2)cc1OCC.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide?
The InChIKey is LXBXFHCMWKBLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3S/c1-3-29-20-14-13-16(15-21(20)30-4-2)27(23(28)17-9-5-6-10-18(17)25)24-26-19-11-7-8-12-22(19)31-24/h5-15H,3-4H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide?
N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide has a molecular weight of 452.96 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-chloro-N-(3,4-diethoxyphenyl)benzamide is sourced from PubChem (CID 11419624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).