N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide

C23H20N2O2S — CID 17359922

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-27-19-13-6-16(7-14-19)8-15-22(26)24-18-11-9-17(10-12-18)23-25-20-4-2-3-5-21(20)28-23/h2-7,9-14H,8,15H2,1H3,(H,24,26)
InChIKeyAYXSPEULIWPTCL-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.54
Rot. Bonds6

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 17359922) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID17359922
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-27-19-13-6-16(7-14-19)8-15-22(26)24-18-11-9-17(10-12-18)23-25-20-4-2-3-5-21(20)28-23/h2-7,9-14H,8,15H2,1H3,(H,24,26)
InChIKeyAYXSPEULIWPTCL-UHFFFAOYSA-N
XLogP5.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 86577376
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 2216354
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1224431
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7706771
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 7919369
N-[4-(1,3-benzothiazol-2-yl)phenyl]-5-bromopentanamide
CID 68701204
2-[[4-[3-[4-(1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]benzoyl]amino]ethanesulfonic acid;cyclohexane;2-methylpropane
CID 159935084
2-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 5303623
3-(1,3-benzothiazol-2-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7980639
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-cyanoacetamide
CID 168524270
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(1-hydroxy-2-methylpropyl)amino]butanamide
CID 174362978
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide (CID 17359922) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is AYXSPEULIWPTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-27-19-13-6-16(7-14-19)8-15-22(26)24-18-11-9-17(10-12-18)23-25-20-4-2-3-5-21(20)28-23/h2-7,9-14H,8,15H2,1H3,(H,24,26).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 5.54, 6 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)phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 17359922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).