N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide

C22H28ClN3O5S — CID 55351192

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28ClN3O5S/c1-15(22(27)25-18-13-16(23)7-9-19(18)30-2)24-17-8-10-20(31-3)21(14-17)32(28,29)26-11-5-4-6-12-26/h7-10,13-15,24H,4-6,11-12H2,1-3H3,(H,25,27)
InChIKeyWYDPTXFUNRVDCR-UHFFFAOYSA-N
MW482.00 g/mol
LogP3.97
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide

N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide (PubChem CID 55351192) has the molecular formula C22H28ClN3O5S and a molecular weight of 482.00 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide
PubChem CID55351192
Molecular FormulaC22H28ClN3O5S
Molecular Weight482.00 g/mol
Exact Mass481.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28ClN3O5S/c1-15(22(27)25-18-13-16(23)7-9-19(18)30-2)24-17-8-10-20(31-3)21(14-17)32(28,29)26-11-5-4-6-12-26/h7-10,13-15,24H,4-6,11-12H2,1-3H3,(H,25,27)
InChIKeyWYDPTXFUNRVDCR-UHFFFAOYSA-N
XLogP3.97
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)propanamide
CID 55382016
N-(3-bromophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide
CID 46682881
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 16599145
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2596350
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805
N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349259
(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 41136736
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide (CID 55351192) is N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide is COc1ccc(Cl)cc1NC(=O)C(C)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide?
The InChIKey is WYDPTXFUNRVDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O5S/c1-15(22(27)25-18-13-16(23)7-9-19(18)30-2)24-17-8-10-20(31-3)21(14-17)32(28,29)26-11-5-4-6-12-26/h7-10,13-15,24H,4-6,11-12H2,1-3H3,(H,25,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide has a molecular weight of 482.00 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)propanamide is sourced from PubChem (CID 55351192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).