3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide

C22H22ClN3O5S — CID 55682810

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)cc1OCc1ccncc1
InChIInChI=1S/C22H22ClN3O5S/c1-30-19-7-6-17(14-20(19)31-15-16-8-11-24-12-9-16)26-22(27)10-13-25-32(28,29)21-5-3-2-4-18(21)23/h2-9,11-12,14,25H,10,13,15H2,1H3,(H,26,27)
InChIKeyJPYHFRTURWSXQT-UHFFFAOYSA-N
MW475.95 g/mol
LogP3.63
Rot. Bonds10

About 3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide

3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide (PubChem CID 55682810) has the molecular formula C22H22ClN3O5S and a molecular weight of 475.95 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
PubChem CID55682810
Molecular FormulaC22H22ClN3O5S
Molecular Weight475.95 g/mol
Exact Mass475.10
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)cc1OCc1ccncc1
InChIInChI=1S/C22H22ClN3O5S/c1-30-19-7-6-17(14-20(19)31-15-16-8-11-24-12-9-16)26-22(27)10-13-25-32(28,29)21-5-3-2-4-18(21)23/h2-9,11-12,14,25H,10,13,15H2,1H3,(H,26,27)
InChIKeyJPYHFRTURWSXQT-UHFFFAOYSA-N
XLogP3.63
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
CID 119848510
N-[3-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 38629448
N-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112998391
3-[(2-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 26697206
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 38626738
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 43068317
3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
4-(1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 46427440
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
CID 38629097
N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide
CID 55868550

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide (CID 55682810) is 3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide is COc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)cc1OCc1ccncc1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide?
The InChIKey is JPYHFRTURWSXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S/c1-30-19-7-6-17(14-20(19)31-15-16-8-11-24-12-9-16)26-22(27)10-13-25-32(28,29)21-5-3-2-4-18(21)23/h2-9,11-12,14,25H,10,13,15H2,1H3,(H,26,27).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide has a molecular weight of 475.95 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 55682810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).