2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide

C22H21ClN2O4S — CID 6975832

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(OC[C@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-28-17-6-8-18(9-7-17)29-14-16(26)13-25-21(27)20-3-2-12-24-22(20)30-19-10-4-15(23)5-11-19/h2-12,16,26H,13-14H2,1H3,(H,25,27)/t16-/m1/s1
InChIKeyJUUNGGSMVLJTQR-MRXNPFEDSA-N
MW444.94 g/mol
LogP4.06
Rot. Bonds9

About 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide

2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide (PubChem CID 6975832) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide
PubChem CID6975832
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(OC[C@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-28-17-6-8-18(9-7-17)29-14-16(26)13-25-21(27)20-3-2-12-24-22(20)30-19-10-4-15(23)5-11-19/h2-12,16,26H,13-14H2,1H3,(H,25,27)/t16-/m1/s1
InChIKeyJUUNGGSMVLJTQR-MRXNPFEDSA-N
XLogP4.06
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 4784859
N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 30892362
N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 99936089
N-(4-hydroxy-2-methylpentyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111447058
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 55662586
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 725071
[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
CID 14685227
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 46399858
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide (CID 6975832) is 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide is COc1ccc(OC[C@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide?
The InChIKey is JUUNGGSMVLJTQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-28-17-6-8-18(9-7-17)29-14-16(26)13-25-21(27)20-3-2-12-24-22(20)30-19-10-4-15(23)5-11-19/h2-12,16,26H,13-14H2,1H3,(H,25,27)/t16-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide?
2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide has a molecular weight of 444.94 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 6975832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).