ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide

C32H50N4O3S — CID 154669231

IUPACethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
SMILESCC.CCCC(CCC(C)CC)COC.Cc1cccc(-c2csc(NC(=O)CNC(=O)c3ccn(C)c3)n2)c1
InChIInChI=1S/C18H18N4O2S.C12H26O.C2H6/c1-12-4-3-5-13(8-12)15-11-25-18(20-15)21-16(23)9-19-17(24)14-6-7-22(2)10-14;1-5-7-12(10-13-4)9-8-11(3)6-2;1-2/h3-8,10-11H,9H2,1-2H3,(H,19,24)(H,20,21,23);11-12H,5-10H2,1-4H3;1-2H3
InChIKeyKJCCUWTWQMOYFA-UHFFFAOYSA-N
MW570.84 g/mol
LogP7.73
Rot. Bonds13

About ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide

ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide (PubChem CID 154669231) has the molecular formula C32H50N4O3S and a molecular weight of 570.84 g/mol. Its IUPAC name is ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Nameethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
PubChem CID154669231
Molecular FormulaC32H50N4O3S
Molecular Weight570.84 g/mol
Exact Mass570.36
IUPAC Nameethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
SMILESCC.CCCC(CCC(C)CC)COC.Cc1cccc(-c2csc(NC(=O)CNC(=O)c3ccn(C)c3)n2)c1
InChIInChI=1S/C18H18N4O2S.C12H26O.C2H6/c1-12-4-3-5-13(8-12)15-11-25-18(20-15)21-16(23)9-19-17(24)14-6-7-22(2)10-14;1-5-7-12(10-13-4)9-8-11(3)6-2;1-2/h3-8,10-11H,9H2,1-2H3,(H,19,24)(H,20,21,23);11-12H,5-10H2,1-4H3;1-2H3
InChIKeyKJCCUWTWQMOYFA-UHFFFAOYSA-N
XLogP7.73
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.84
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;5-methyl-2-propylheptanenitrile
CID 154669862
CID 154669632
CID 154669632
N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029
1-tert-butyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;methoxymethane;2-methylhexane;propane
CID 154667601
1-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]pyrrole-3-carboxamide
CID 154667811
N-[2-[[4-[3-[3-(aminomethyl)phenyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037500
ethane;3-(2-methylbutyl)oxetane;1-methyl-N-[2-[[4-(3-methyl-4-propylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
CID 154669410
N-[2-[[4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154667679
N-[2-cyclobutylidene-2-[[4-(3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1-methylpyrrole-3-carboxamide;ethane
CID 154669914
N-[2-[[4-[3-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154668263
N-[2-[[4-[3-(3-hydroxypiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154668876
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450

Frequently Asked Questions

What is the IUPAC name of ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide?
The IUPAC name of ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide (CID 154669231) is ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide.
What is the SMILES notation for ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide?
The canonical SMILES for ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide is CC.CCCC(CCC(C)CC)COC.Cc1cccc(-c2csc(NC(=O)CNC(=O)c3ccn(C)c3)n2)c1.
What is the InChIKey of ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide?
The InChIKey is KJCCUWTWQMOYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S.C12H26O.C2H6/c1-12-4-3-5-13(8-12)15-11-25-18(20-15)21-16(23)9-19-17(24)14-6-7-22(2)10-14;1-5-7-12(10-13-4)9-8-11(3)6-2;1-2/h3-8,10-11H,9H2,1-2H3,(H,19,24)(H,20,21,23);11-12H,5-10H2,1-4H3;1-2H3.
What are the key properties of ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide?
ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide has a molecular weight of 570.84 g/mol, XLogP of 7.73, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 154669231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).