N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide

C43H64N4O5S — CID 134811997

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O4)cc2)n1
InChIInChI=1S/C43H64N4O5S/c1-28(2)14-11-15-29(3)16-12-17-30(4)18-13-24-43(10)25-23-38-35(9)40(33(7)34(8)41(38)52-43)51-27-39(48)46-36-19-21-37(22-20-36)53(49,50)47-42-44-31(5)26-32(6)45-42/h19-22,26,28-30H,11-18,23-25,27H2,1-10H3,(H,46,48)(H,44,45,47)/t29-,30-,43-/m1/s1
InChIKeyPBNMMFOJBNQAJI-TVWQJLKLSA-N
MW749.08 g/mol
LogP10.36
Rot. Bonds19

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide (PubChem CID 134811997) has the molecular formula C43H64N4O5S and a molecular weight of 749.08 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide
PubChem CID134811997
Molecular FormulaC43H64N4O5S
Molecular Weight749.08 g/mol
Exact Mass748.46
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O4)cc2)n1
InChIInChI=1S/C43H64N4O5S/c1-28(2)14-11-15-29(3)16-12-17-30(4)18-13-24-43(10)25-23-38-35(9)40(33(7)34(8)41(38)52-43)51-27-39(48)46-36-19-21-37(22-20-36)53(49,50)47-42-44-31(5)26-32(6)45-42/h19-22,26,28-30H,11-18,23-25,27H2,1-10H3,(H,46,48)(H,44,45,47)/t29-,30-,43-/m1/s1
InChIKeyPBNMMFOJBNQAJI-TVWQJLKLSA-N
XLogP10.36
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.08
LogP ≤ 510.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide (CID 134811997) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O4)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide?
The InChIKey is PBNMMFOJBNQAJI-TVWQJLKLSA-N. The full InChI is InChI=1S/C43H64N4O5S/c1-28(2)14-11-15-29(3)16-12-17-30(4)18-13-24-43(10)25-23-38-35(9)40(33(7)34(8)41(38)52-43)51-27-39(48)46-36-19-21-37(22-20-36)53(49,50)47-42-44-31(5)26-32(6)45-42/h19-22,26,28-30H,11-18,23-25,27H2,1-10H3,(H,46,48)(H,44,45,47)/t29-,30-,43-/m1/s1.
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide has a molecular weight of 749.08 g/mol, XLogP of 10.36, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]acetamide is sourced from PubChem (CID 134811997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).