N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide

C24H22N2O2S — CID 2224805

IUPACN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C24H22N2O2S/c1-15(2)28-19-8-6-7-17(14-19)23(27)25-20-12-11-18(13-16(20)3)24-26-21-9-4-5-10-22(21)29-24/h4-15H,1-3H3,(H,25,27)
InChIKeyPMFAREVDAWVGJK-UHFFFAOYSA-N
MW402.52 g/mol
LogP6.31
Rot. Bonds5

About N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide (PubChem CID 2224805) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide
PubChem CID2224805
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C24H22N2O2S/c1-15(2)28-19-8-6-7-17(14-19)23(27)25-20-12-11-18(13-16(20)3)24-26-21-9-4-5-10-22(21)29-24/h4-15H,1-3H3,(H,25,27)
InChIKeyPMFAREVDAWVGJK-UHFFFAOYSA-N
XLogP6.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714
N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17104261
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide
CID 2864442
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-methylbenzamide
CID 17132014
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,6-dimethoxybenzamide
CID 46502802
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide
CID 46502801
N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-butoxybenzamide
CID 17114762
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]-2-chlorobenzamide
CID 46785977
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-ethoxybenzamide
CID 3934866
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide
CID 40634821
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 2067664

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide (CID 2224805) is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide is Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide?
The InChIKey is PMFAREVDAWVGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-15(2)28-19-8-6-7-17(14-19)23(27)25-20-12-11-18(13-16(20)3)24-26-21-9-4-5-10-22(21)29-24/h4-15H,1-3H3,(H,25,27).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide?
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide has a molecular weight of 402.52 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 2224805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).