N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide

C24H22N2O2S — CID 40634821

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide
SMILESCC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C24H22N2O2S/c1-3-16(2)28-18-10-8-9-17(15-18)23(27)25-20-12-5-4-11-19(20)24-26-21-13-6-7-14-22(21)29-24/h4-16H,3H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyZAUSSRDSJXCJHP-MRXNPFEDSA-N
MW402.52 g/mol
LogP6.39
Rot. Bonds6

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide (PubChem CID 40634821) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide
PubChem CID40634821
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide
SMILESCC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C24H22N2O2S/c1-3-16(2)28-18-10-8-9-17(15-18)23(27)25-20-12-5-4-11-19(20)24-26-21-13-6-7-14-22(21)29-24/h4-16H,3H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyZAUSSRDSJXCJHP-MRXNPFEDSA-N
XLogP6.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 4502426
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 2067664
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide
CID 2298598
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 3949005
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide
CID 2224805
4-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 123563775
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 16549812
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 26181585
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16549827
N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 46364016

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide (CID 40634821) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide is CC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide?
The InChIKey is ZAUSSRDSJXCJHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-3-16(2)28-18-10-8-9-17(15-18)23(27)25-20-12-5-4-11-19(20)24-26-21-13-6-7-14-22(21)29-24/h4-16H,3H2,1-2H3,(H,25,27)/t16-/m1/s1.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide has a molecular weight of 402.52 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide is sourced from PubChem (CID 40634821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).