N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide

C27H27ClN4O6S — CID 147845082

IUPACN-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2cccc(OC(C)C)c2)cc1OC
InChIInChI=1S/C27H27ClN4O6S/c1-5-27(33)32(26-10-9-20(16-29-26)39(34,35)31-25-11-12-37-30-25)23-15-22(28)21(14-24(23)36-4)18-7-6-8-19(13-18)38-17(2)3/h6-17H,5H2,1-4H3,(H,30,31)
InChIKeyHTSRKUGIVSXPNE-UHFFFAOYSA-N
MW571.06 g/mol
LogP6.06
Rot. Bonds10

About N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide

N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide (PubChem CID 147845082) has the molecular formula C27H27ClN4O6S and a molecular weight of 571.06 g/mol. Its IUPAC name is N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide
PubChem CID147845082
Molecular FormulaC27H27ClN4O6S
Molecular Weight571.06 g/mol
Exact Mass570.13
IUPAC NameN-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide
SMILESCCC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2cccc(OC(C)C)c2)cc1OC
InChIInChI=1S/C27H27ClN4O6S/c1-5-27(33)32(26-10-9-20(16-29-26)39(34,35)31-25-11-12-37-30-25)23-15-22(28)21(14-24(23)36-4)18-7-6-8-19(13-18)38-17(2)3/h6-17H,5H2,1-4H3,(H,30,31)
InChIKeyHTSRKUGIVSXPNE-UHFFFAOYSA-N
XLogP6.06
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.06
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-chloro-4-(4-fluorophenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide
CID 149268153
1-[5-chloro-2-methoxy-4-(3,4,5-trifluorophenyl)phenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea
CID 134201231
1-[5-chloro-4-(3-chloro-5-fluorophenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea
CID 134201193
N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide
CID 159932701
1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea
CID 134201144
N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide
CID 159761372
1-[5-chloro-4-(4-chloro-3-cyanophenyl)-2-methoxyphenyl]-3-methyl-1-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]urea
CID 134201293
6-[N-acetyl-5-chloro-2-methoxy-4-[3-(trifluoromethyl)phenyl]anilino]pyridine-3-sulfonyl chloride
CID 159134037
1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-3-methyl-1-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]urea
CID 134201227
4-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-methyl-N-(1,2-oxazol-3-yl)-1-oxoisoquinoline-7-sulfonamide;trifluoromethanesulfonic acid
CID 121333900
1-(4-bromo-5-fluoro-2-methoxyphenyl)-3-methyl-1-[5-(pyridazin-3-ylsulfamoyl)-2-pyridinyl]urea
CID 134201161
N-(1,2-oxazol-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide
CID 75399150

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide (CID 147845082) is N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide is CCC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(Cl)c(-c2cccc(OC(C)C)c2)cc1OC.
What is the InChIKey of N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide?
The InChIKey is HTSRKUGIVSXPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O6S/c1-5-27(33)32(26-10-9-20(16-29-26)39(34,35)31-25-11-12-37-30-25)23-15-22(28)21(14-24(23)36-4)18-7-6-8-19(13-18)38-17(2)3/h6-17H,5H2,1-4H3,(H,30,31).
What are the key properties of N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide?
N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide has a molecular weight of 571.06 g/mol, XLogP of 6.06, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-methoxy-4-(3-propan-2-yloxyphenyl)phenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 147845082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).