4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide

C24H23N3O3S — CID 46427440

IUPAC4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1OCc1ccncc1
InChIInChI=1S/C24H23N3O3S/c1-29-20-10-9-18(15-21(20)30-16-17-11-13-25-14-12-17)26-23(28)7-4-8-24-27-19-5-2-3-6-22(19)31-24/h2-3,5-6,9-15H,4,7-8,16H2,1H3,(H,26,28)
InChIKeyDPBXSGJLRYTISI-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.24
Rot. Bonds9

About 4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide

4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide (PubChem CID 46427440) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide
PubChem CID46427440
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide
SMILESCOc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1OCc1ccncc1
InChIInChI=1S/C24H23N3O3S/c1-29-20-10-9-18(15-21(20)30-16-17-11-13-25-14-12-17)26-23(28)7-4-8-24-27-19-5-2-3-6-22(19)31-24/h2-3,5-6,9-15H,4,7-8,16H2,1H3,(H,26,28)
InChIKeyDPBXSGJLRYTISI-UHFFFAOYSA-N
XLogP5.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide with MolForge

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]pentanamide
CID 55806868
N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119418973
4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide
CID 32638446
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
CID 119848510
4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
CID 2472699
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157
N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 38629448
N'-[4-(1,3-benzothiazol-2-yl)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 25442490
N'-[4-(1,3-benzothiazol-2-yl)butanoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443132
4-(1,3-benzothiazol-2-yl)-N-[[3-(butanoylamino)phenyl]methyl]butanamide
CID 55782553
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 43068317

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide (CID 46427440) is 4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide is COc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1OCc1ccncc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide?
The InChIKey is DPBXSGJLRYTISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-29-20-10-9-18(15-21(20)30-16-17-11-13-25-14-12-17)26-23(28)7-4-8-24-27-19-5-2-3-6-22(19)31-24/h2-3,5-6,9-15H,4,7-8,16H2,1H3,(H,26,28).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide?
4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide has a molecular weight of 433.53 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide is sourced from PubChem (CID 46427440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).